N-butan-2-ylheptan-4-amine

C11H25N — CID 43190303

IUPACN-butan-2-ylheptan-4-amine
SMILESCCCC(CCC)NC(C)CC
InChIInChI=1S/C11H25N/c1-5-8-11(9-6-2)12-10(4)7-3/h10-12H,5-9H2,1-4H3
InChIKeyALPVMQPPKLMZCV-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.34
Rot. Bonds7

About N-butan-2-ylheptan-4-amine

N-butan-2-ylheptan-4-amine (PubChem CID 43190303) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-butan-2-ylheptan-4-amine.

Molecular Properties

Compound NameN-butan-2-ylheptan-4-amine
PubChem CID43190303
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-butan-2-ylheptan-4-amine
SMILESCCCC(CCC)NC(C)CC
InChIInChI=1S/C11H25N/c1-5-8-11(9-6-2)12-10(4)7-3/h10-12H,5-9H2,1-4H3
InChIKeyALPVMQPPKLMZCV-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-butan-2-ylpentane-1,2-diamine
CID 65385176
N-(5-methylhexan-2-yl)heptan-4-amine
CID 43097819
N-(4-methylpentan-2-yl)heptan-4-amine
CID 43371859
N-heptan-4-ylheptan-2-amine
CID 43572732
2-N-hexan-3-ylpropane-1,2-diamine
CID 103389738
N-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine
CID 115728935
N-butan-2-yl-2,6-dimethylheptan-4-amine
CID 43110369
3-N-butan-2-ylpentane-1,3-diamine
CID 79687854
N-pentan-3-ylhexan-3-amine
CID 62118915
N-pent-4-en-2-ylhexan-3-amine
CID 103921873
N-(1-ethoxypropan-2-yl)hexan-3-amine
CID 115888994
1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine
CID 154626445

Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylheptan-4-amine?
The IUPAC name of N-butan-2-ylheptan-4-amine (CID 43190303) is N-butan-2-ylheptan-4-amine.
What is the SMILES notation for N-butan-2-ylheptan-4-amine?
The canonical SMILES for N-butan-2-ylheptan-4-amine is CCCC(CCC)NC(C)CC.
What is the InChIKey of N-butan-2-ylheptan-4-amine?
The InChIKey is ALPVMQPPKLMZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-5-8-11(9-6-2)12-10(4)7-3/h10-12H,5-9H2,1-4H3.
What are the key properties of N-butan-2-ylheptan-4-amine?
N-butan-2-ylheptan-4-amine has a molecular weight of 171.33 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylheptan-4-amine is sourced from PubChem (CID 43190303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).