N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine

C12H27N — CID 29291947

IUPACN-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine
SMILESCCCCCCN[C@H](C)[C@H](C)CC
InChIInChI=1S/C12H27N/c1-5-7-8-9-10-13-12(4)11(3)6-2/h11-13H,5-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyAJYVDTGZOZMPHA-VXGBXAGGSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds8

About N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine

N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine (PubChem CID 29291947) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine.

Molecular Properties

Compound NameN-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine
PubChem CID29291947
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine
SMILESCCCCCCN[C@H](C)[C@H](C)CC
InChIInChI=1S/C12H27N/c1-5-7-8-9-10-13-12(4)11(3)6-2/h11-13H,5-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyAJYVDTGZOZMPHA-VXGBXAGGSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine 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

N-butyl-3-methylpentan-2-amine
CID 43200990
N-(3-ethylpentan-2-yl)heptan-1-amine
CID 63843308
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
2-(tetradecylamino)propane-1,1-diol
CID 174762987
N-(1,1-difluoropropan-2-yl)octan-1-amine
CID 102869921
N-(1,1-difluoropropan-2-yl)hexan-1-amine
CID 102868054
N-butan-2-yldodecan-1-amine
CID 63489622
N-butan-2-ylundecan-1-amine
CID 151961423
N-(3-methoxybutan-2-yl)pentan-1-amine
CID 115705771
N-(3-methoxypropyl)-3-methylpentan-2-amine
CID 43205167
N-propan-2-ylicosan-1-amine
CID 87246132
N-butyl-3-methylhexan-2-amine
CID 123937982

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine?
The IUPAC name of N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine (CID 29291947) is N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine.
What is the SMILES notation for N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine?
The canonical SMILES for N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine is CCCCCCN[C@H](C)[C@H](C)CC.
What is the InChIKey of N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine?
The InChIKey is AJYVDTGZOZMPHA-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H27N/c1-5-7-8-9-10-13-12(4)11(3)6-2/h11-13H,5-10H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine?
N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine is sourced from PubChem (CID 29291947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).