N-pentan-3-ylhexan-3-amine

C11H25N — CID 62118915

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

About N-pentan-3-ylhexan-3-amine

N-pentan-3-ylhexan-3-amine (PubChem CID 62118915) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-pentan-3-ylhexan-3-amine.

Molecular Properties

Compound NameN-pentan-3-ylhexan-3-amine
PubChem CID62118915
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-pentan-3-ylhexan-3-amine
SMILESCCCC(CC)NC(CC)CC
InChIInChI=1S/C11H25N/c1-5-9-11(8-4)12-10(6-2)7-3/h10-12H,5-9H2,1-4H3
InChIKeyLFNGBPRBTZGEIP-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

1-[[(3R)-hexan-3-yl]amino]propan-1-ol
CID 163869071
N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine
CID 62119280
2-N-hexan-3-ylpropane-1,2-diamine
CID 103389738
2-(hexan-3-ylamino)butanenitrile
CID 62118190
2-(hexan-3-ylamino)-4,4-dimethylpentan-1-ol
CID 115906532
N-butan-2-ylheptan-4-amine
CID 43190303
N-pent-4-en-2-ylhexan-3-amine
CID 103921873
N-(1-ethoxypropan-2-yl)hexan-3-amine
CID 115888994
2-(hexan-3-ylamino)-N'-hydroxybutanimidamide
CID 77028225
2-(hexan-3-ylamino)-3-hydroxypropanamide
CID 138623238
3-(octan-4-ylamino)pentanenitrile
CID 104720823
methyl 3-(hexan-3-ylamino)butanoate
CID 62117257

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-ylhexan-3-amine?
The IUPAC name of N-pentan-3-ylhexan-3-amine (CID 62118915) is N-pentan-3-ylhexan-3-amine.
What is the SMILES notation for N-pentan-3-ylhexan-3-amine?
The canonical SMILES for N-pentan-3-ylhexan-3-amine is CCCC(CC)NC(CC)CC.
What is the InChIKey of N-pentan-3-ylhexan-3-amine?
The InChIKey is LFNGBPRBTZGEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-5-9-11(8-4)12-10(6-2)7-3/h10-12H,5-9H2,1-4H3.
What are the key properties of N-pentan-3-ylhexan-3-amine?
N-pentan-3-ylhexan-3-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-pentan-3-ylhexan-3-amine is sourced from PubChem (CID 62118915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).