N-butan-2-yl-2,6-dimethylheptan-4-amine

C13H29N — CID 43110369

IUPACN-butan-2-yl-2,6-dimethylheptan-4-amine
SMILESCCC(C)NC(CC(C)C)CC(C)C
InChIInChI=1S/C13H29N/c1-7-12(6)14-13(8-10(2)3)9-11(4)5/h10-14H,7-9H2,1-6H3
InChIKeyCXJBLHCGOXITLL-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds7

About N-butan-2-yl-2,6-dimethylheptan-4-amine

N-butan-2-yl-2,6-dimethylheptan-4-amine (PubChem CID 43110369) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-butan-2-yl-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-2,6-dimethylheptan-4-amine
PubChem CID43110369
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-butan-2-yl-2,6-dimethylheptan-4-amine
SMILESCCC(C)NC(CC(C)C)CC(C)C
InChIInChI=1S/C13H29N/c1-7-12(6)14-13(8-10(2)3)9-11(4)5/h10-14H,7-9H2,1-6H3
InChIKeyCXJBLHCGOXITLL-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-N-propan-2-ylhexan-3-amine
CID 91577659
N-butan-2-ylheptan-4-amine
CID 43190303
3-N-butan-2-yl-1-N-methylpentane-1,3-diamine
CID 118478770
(2R)-2-(4-methylpentan-2-ylamino)butan-1-ol
CID 103922364
(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol
CID 28723565
2-N-butan-2-ylbutane-1,2-diamine
CID 65383275
N-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine
CID 63988910
N-(4-methylpentan-2-yl)heptan-4-amine
CID 43371859
2,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)heptan-4-amine
CID 43675652
3-N-butan-2-ylpentane-1,3-diamine
CID 79687854
2-N-butan-2-yl-1-N,1-N-dimethylbutane-1,2-diamine
CID 129045387
2-N-butan-2-ylpentane-1,2-diamine
CID 65385176

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,6-dimethylheptan-4-amine?
The IUPAC name of N-butan-2-yl-2,6-dimethylheptan-4-amine (CID 43110369) is N-butan-2-yl-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-butan-2-yl-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-butan-2-yl-2,6-dimethylheptan-4-amine is CCC(C)NC(CC(C)C)CC(C)C.
What is the InChIKey of N-butan-2-yl-2,6-dimethylheptan-4-amine?
The InChIKey is CXJBLHCGOXITLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-12(6)14-13(8-10(2)3)9-11(4)5/h10-14H,7-9H2,1-6H3.
What are the key properties of N-butan-2-yl-2,6-dimethylheptan-4-amine?
N-butan-2-yl-2,6-dimethylheptan-4-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 43110369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).