N-butan-2-yl-N-(2-methylpropyl)butan-2-amine

C12H27N — CID 87394017

IUPACN-butan-2-yl-N-(2-methylpropyl)butan-2-amine
SMILESCCC(C)N(CC(C)C)C(C)CC
InChIInChI=1S/C12H27N/c1-7-11(5)13(9-10(3)4)12(6)8-2/h10-12H,7-9H2,1-6H3
InChIKeyPNYLIOCBVZOYLS-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds6

About N-butan-2-yl-N-(2-methylpropyl)butan-2-amine

N-butan-2-yl-N-(2-methylpropyl)butan-2-amine (PubChem CID 87394017) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-butan-2-yl-N-(2-methylpropyl)butan-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-(2-methylpropyl)butan-2-amine
PubChem CID87394017
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-butan-2-yl-N-(2-methylpropyl)butan-2-amine
SMILESCCC(C)N(CC(C)C)C(C)CC
InChIInChI=1S/C12H27N/c1-7-11(5)13(9-10(3)4)12(6)8-2/h10-12H,7-9H2,1-6H3
InChIKeyPNYLIOCBVZOYLS-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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-(2-methylpropyl)-N-propan-2-ylbutan-2-amine
CID 139772547
N-ethyl-N-(2-methylpropyl)butan-2-amine
CID 54537801
N-ethyl-N-propan-2-ylbutan-2-amine
CID 20659804
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
ethane;N-ethyl-N-propan-2-ylbutan-2-amine
CID 143592166
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
3-butan-2-yl-1,1-bis(2-methylpropyl)urea
CID 45366563
N-ethyl-2-methyl-N-(2-methylpropyl)pentan-2-amine
CID 139372198
3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine
CID 79484103
4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine
CID 79483348
2-methylbutane;yttrium
CID 157105537

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2-methylpropyl)butan-2-amine?
The IUPAC name of N-butan-2-yl-N-(2-methylpropyl)butan-2-amine (CID 87394017) is N-butan-2-yl-N-(2-methylpropyl)butan-2-amine.
What is the SMILES notation for N-butan-2-yl-N-(2-methylpropyl)butan-2-amine?
The canonical SMILES for N-butan-2-yl-N-(2-methylpropyl)butan-2-amine is CCC(C)N(CC(C)C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-(2-methylpropyl)butan-2-amine?
The InChIKey is PNYLIOCBVZOYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-7-11(5)13(9-10(3)4)12(6)8-2/h10-12H,7-9H2,1-6H3.
What are the key properties of N-butan-2-yl-N-(2-methylpropyl)butan-2-amine?
N-butan-2-yl-N-(2-methylpropyl)butan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2-methylpropyl)butan-2-amine is sourced from PubChem (CID 87394017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).