N-[(3S)-6-aminohexan-3-yl]acetamide

C8H18N2O — CID 143107836

IUPACN-[(3S)-6-aminohexan-3-yl]acetamide
SMILESCC[C@@H](CCCN)NC(C)=O
InChIInChI=1S/C8H18N2O/c1-3-8(5-4-6-9)10-7(2)11/h8H,3-6,9H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKeyURVTUOSTYMOUFI-QMMMGPOBSA-N
MW158.25 g/mol
LogP0.64
Rot. Bonds5

About N-[(3S)-6-aminohexan-3-yl]acetamide

N-[(3S)-6-aminohexan-3-yl]acetamide (PubChem CID 143107836) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-[(3S)-6-aminohexan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-6-aminohexan-3-yl]acetamide
PubChem CID143107836
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-[(3S)-6-aminohexan-3-yl]acetamide
SMILESCC[C@@H](CCCN)NC(C)=O
InChIInChI=1S/C8H18N2O/c1-3-8(5-4-6-9)10-7(2)11/h8H,3-6,9H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKeyURVTUOSTYMOUFI-QMMMGPOBSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-aminohexan-3-yl)prop-2-enamide
CID 90258074
N-(5-acetamidoheptyl)acetamide
CID 59001684
ethyl 4-acetamidohexanoate
CID 173385826
2-acetamido-6-amino-3-sulfanylhexanamide
CID 139245344
3-acetamido-5-aminopentanoic acid
CID 91746269
N-(1-fluorooctan-3-yl)acetamide
CID 45120198
7-amino-N-hexan-3-ylheptanamide;hydrochloride
CID 119757664
N-[(2R)-2-acetamidobutyl]acetamide
CID 102008964
N-(2-acetamidobutyl)acetamide
CID 547374
N-pentadecan-4-ylacetamide
CID 87419548
methyl N-(1-aminopentan-3-yl)carbamate
CID 62651614
butyl 2-acetamido-6-aminohexanoate
CID 527831

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-6-aminohexan-3-yl]acetamide?
The IUPAC name of N-[(3S)-6-aminohexan-3-yl]acetamide (CID 143107836) is N-[(3S)-6-aminohexan-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-6-aminohexan-3-yl]acetamide?
The canonical SMILES for N-[(3S)-6-aminohexan-3-yl]acetamide is CC[C@@H](CCCN)NC(C)=O.
What is the InChIKey of N-[(3S)-6-aminohexan-3-yl]acetamide?
The InChIKey is URVTUOSTYMOUFI-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-8(5-4-6-9)10-7(2)11/h8H,3-6,9H2,1-2H3,(H,10,11)/t8-/m0/s1.
What are the key properties of N-[(3S)-6-aminohexan-3-yl]acetamide?
N-[(3S)-6-aminohexan-3-yl]acetamide has a molecular weight of 158.25 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-6-aminohexan-3-yl]acetamide is sourced from PubChem (CID 143107836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).