N-butan-2-yl-2-methyl-N-propylbutan-1-amine

C12H27N — CID 176917771

IUPACN-butan-2-yl-2-methyl-N-propylbutan-1-amine
SMILESCCCN(CC(C)CC)C(C)CC
InChIInChI=1S/C12H27N/c1-6-9-13(12(5)8-3)10-11(4)7-2/h11-12H,6-10H2,1-5H3
InChIKeyPYIUGJQSQDFTOB-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds7

About N-butan-2-yl-2-methyl-N-propylbutan-1-amine

N-butan-2-yl-2-methyl-N-propylbutan-1-amine (PubChem CID 176917771) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-N-propylbutan-1-amine
PubChem CID176917771
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-butan-2-yl-2-methyl-N-propylbutan-1-amine
SMILESCCCN(CC(C)CC)C(C)CC
InChIInChI=1S/C12H27N/c1-6-9-13(12(5)8-3)10-11(4)7-2/h11-12H,6-10H2,1-5H3
InChIKeyPYIUGJQSQDFTOB-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dipropylbutan-2-amine
CID 524229
N,N-dipropylbutan-2-amine;ethane;propane
CID 143577846
N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62411413
[butan-2-yl(propyl)amino]methanethiol
CID 142982154
3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine
CID 145192300
1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine
CID 141222296
3-methoxy-2-methyl-N-propan-2-yl-N-propylpropan-1-amine
CID 144977242
N-methyl-N-(2-methylbutyl)hydroxylamine
CID 143701595
ethane;(2R)-N,N,2-trimethylbutan-1-amine
CID 178101295
ethane;N,N,2-trimethylbutan-1-amine
CID 144720352
N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62422187
1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine
CID 170117708

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-N-propylbutan-1-amine?
The IUPAC name of N-butan-2-yl-2-methyl-N-propylbutan-1-amine (CID 176917771) is N-butan-2-yl-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for N-butan-2-yl-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for N-butan-2-yl-2-methyl-N-propylbutan-1-amine is CCCN(CC(C)CC)C(C)CC.
What is the InChIKey of N-butan-2-yl-2-methyl-N-propylbutan-1-amine?
The InChIKey is PYIUGJQSQDFTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-9-13(12(5)8-3)10-11(4)7-2/h11-12H,6-10H2,1-5H3.
What are the key properties of N-butan-2-yl-2-methyl-N-propylbutan-1-amine?
N-butan-2-yl-2-methyl-N-propylbutan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 176917771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).