1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine

C19H41N3 — CID 177203992

IUPAC1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine
SMILESCC(C)N1CC(C)(C)C1.CCC(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C11H24N2.C8H17N/c1-5-10(2)13-8-6-11(7-9-13)12(3)4;1-7(2)9-5-8(3,4)6-9/h10-11H,5-9H2,1-4H3;7H,5-6H2,1-4H3
InChIKeyNHXTVNMJXFOYBQ-UHFFFAOYSA-N
MW311.56 g/mol
LogP3.55
Rot. Bonds4

About 1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine

1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine (PubChem CID 177203992) has the molecular formula C19H41N3 and a molecular weight of 311.56 g/mol. Its IUPAC name is 1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine.

Molecular Properties

Compound Name1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine
PubChem CID177203992
Molecular FormulaC19H41N3
Molecular Weight311.56 g/mol
Exact Mass311.33
IUPAC Name1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine
SMILESCC(C)N1CC(C)(C)C1.CCC(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C11H24N2.C8H17N/c1-5-10(2)13-8-6-11(7-9-13)12(3)4;1-7(2)9-5-8(3,4)6-9/h10-11H,5-9H2,1-4H3;7H,5-6H2,1-4H3
InChIKeyNHXTVNMJXFOYBQ-UHFFFAOYSA-N
XLogP3.55
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.56
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine with MolForge

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Related Compounds

1-butan-2-yl-N,N-dimethylpiperidin-4-amine
CID 90697678
5-bromo-1-butan-2-yl-3,3-dimethylazepane
CID 130933849
1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 60915047
N,N-dimethyl-1-[1-(propan-2-ylamino)propan-2-yl]piperidin-4-amine
CID 62433161
2-methylbutane;N,N,1-trimethylpiperidin-4-amine
CID 142525400
1-butan-2-yl-4-(difluoromethyl)piperidine
CID 127988916
2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine
CID 117024779
1-butan-2-yl-N,N-dimethylpiperidine-4-carboxamide
CID 154662665
(4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine
CID 176933645
N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine
CID 62432463
N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine
CID 62432465
ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine
CID 169134554

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine?
The IUPAC name of 1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine (CID 177203992) is 1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine.
What is the SMILES notation for 1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine?
The canonical SMILES for 1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine is CC(C)N1CC(C)(C)C1.CCC(C)N1CCC(N(C)C)CC1.
What is the InChIKey of 1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine?
The InChIKey is NHXTVNMJXFOYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.C8H17N/c1-5-10(2)13-8-6-11(7-9-13)12(3)4;1-7(2)9-5-8(3,4)6-9/h10-11H,5-9H2,1-4H3;7H,5-6H2,1-4H3.
What are the key properties of 1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine?
1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine has a molecular weight of 311.56 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine is sourced from PubChem (CID 177203992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).