4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine

C32H69N3O — CID 158128158

IUPAC4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine
SMILESCC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCOCC1.CC(C)N(CCC(C)(C)C)C(C)C
InChIInChI=1S/C12H27N.C10H21NO.C10H21N/c1-10(2)13(11(3)4)9-8-12(5,6)7;1-10(2,3)4-5-11-6-8-12-9-7-11;1-10(2,3)6-9-11-7-4-5-8-11/h10-11H,8-9H2,1-7H3;4-9H2,1-3H3;4-9H2,1-3H3
InChIKeyFSLBWGJQPYFQKV-UHFFFAOYSA-N
MW511.92 g/mol
LogP7.81
Rot. Bonds8

About 4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine

4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine (PubChem CID 158128158) has the molecular formula C32H69N3O and a molecular weight of 511.92 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine
PubChem CID158128158
Molecular FormulaC32H69N3O
Molecular Weight511.92 g/mol
Exact Mass511.54
IUPAC Name4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine
SMILESCC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCOCC1.CC(C)N(CCC(C)(C)C)C(C)C
InChIInChI=1S/C12H27N.C10H21NO.C10H21N/c1-10(2)13(11(3)4)9-8-12(5,6)7;1-10(2,3)4-5-11-6-8-12-9-7-11;1-10(2,3)6-9-11-7-4-5-8-11/h10-11H,8-9H2,1-7H3;4-9H2,1-3H3;4-9H2,1-3H3
InChIKeyFSLBWGJQPYFQKV-UHFFFAOYSA-N
XLogP7.81
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.92
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-dimethylbutyl)azocane
CID 166986973
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110899952
2-methyl-4-morpholin-4-ylbutan-2-ol
CID 79316740
2-methyl-4-(1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64790904
1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 111916497
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine
CID 21030135
4-(2-propan-2-yloxyethyl)morpholine;1-(2-propan-2-yloxyethyl)piperidine
CID 158440529
2-amino-2-methyl-4-(1,4-oxazepan-4-yl)butanenitrile
CID 62974570
4-morpholin-4-yl-N,N-di(propan-2-yl)butan-2-amine
CID 174780048
4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine
CID 134350849
N,N-diiodo-2-morpholin-4-ylethanamine
CID 129036940
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-ylethyl)guanidine
CID 111187173

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine?
The IUPAC name of 4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine (CID 158128158) is 4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine.
What is the SMILES notation for 4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine?
The canonical SMILES for 4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine is CC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCOCC1.CC(C)N(CCC(C)(C)C)C(C)C.
What is the InChIKey of 4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine?
The InChIKey is FSLBWGJQPYFQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C10H21NO.C10H21N/c1-10(2)13(11(3)4)9-8-12(5,6)7;1-10(2,3)4-5-11-6-8-12-9-7-11;1-10(2,3)6-9-11-7-4-5-8-11/h10-11H,8-9H2,1-7H3;4-9H2,1-3H3;4-9H2,1-3H3.
What are the key properties of 4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine?
4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine has a molecular weight of 511.92 g/mol, XLogP of 7.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine is sourced from PubChem (CID 158128158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).