N-[(3S)-3-amino-5,5-dimethylhexyl]formamide

C9H20N2O — CID 140963974

IUPACN-[(3S)-3-amino-5,5-dimethylhexyl]formamide
SMILESCC(C)(C)C[C@H](N)CCNC=O
InChIInChI=1S/C9H20N2O/c1-9(2,3)6-8(10)4-5-11-7-12/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m1/s1
InChIKeyKTSOCDPDQFVPCV-MRVPVSSYSA-N
MW172.27 g/mol
LogP0.89
Rot. Bonds5

About N-[(3S)-3-amino-5,5-dimethylhexyl]formamide

N-[(3S)-3-amino-5,5-dimethylhexyl]formamide (PubChem CID 140963974) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[(3S)-3-amino-5,5-dimethylhexyl]formamide.

Molecular Properties

Compound NameN-[(3S)-3-amino-5,5-dimethylhexyl]formamide
PubChem CID140963974
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[(3S)-3-amino-5,5-dimethylhexyl]formamide
SMILESCC(C)(C)C[C@H](N)CCNC=O
InChIInChI=1S/C9H20N2O/c1-9(2,3)6-8(10)4-5-11-7-12/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m1/s1
InChIKeyKTSOCDPDQFVPCV-MRVPVSSYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3S)-3-amino-5,5-dimethylhexyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine
CID 113497196
(3R)-3-amino-5,5-dimethylhexan-1-ol
CID 58554650
3-amino-5,5-dimethylhexan-1-ol;hydrochloride
CID 55255759
N-(3,3-dibromopropyl)formamide
CID 118574416
(2R)-2-amino-4,4-dimethylpentanal
CID 90948375
N-(6,6-dimethylheptyl)formamide
CID 166796466
ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide
CID 153396785
1-methoxy-6,6-dimethylheptan-4-amine
CID 115619597
N-(3-hydroxyhexyl)formamide
CID 54084231
1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine
CID 103568996
[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
CID 87077916
N-(3-hydroxy-4-methoxybutyl)formamide
CID 106243326

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-amino-5,5-dimethylhexyl]formamide?
The IUPAC name of N-[(3S)-3-amino-5,5-dimethylhexyl]formamide (CID 140963974) is N-[(3S)-3-amino-5,5-dimethylhexyl]formamide.
What is the SMILES notation for N-[(3S)-3-amino-5,5-dimethylhexyl]formamide?
The canonical SMILES for N-[(3S)-3-amino-5,5-dimethylhexyl]formamide is CC(C)(C)C[C@H](N)CCNC=O.
What is the InChIKey of N-[(3S)-3-amino-5,5-dimethylhexyl]formamide?
The InChIKey is KTSOCDPDQFVPCV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2,3)6-8(10)4-5-11-7-12/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m1/s1.
What are the key properties of N-[(3S)-3-amino-5,5-dimethylhexyl]formamide?
N-[(3S)-3-amino-5,5-dimethylhexyl]formamide has a molecular weight of 172.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-amino-5,5-dimethylhexyl]formamide is sourced from PubChem (CID 140963974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).