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

C12H27N — CID 162530079

IUPACN-[(3R)-2-methylpentan-3-yl]hexan-1-amine
SMILESCCCCCCN[C@H](CC)C(C)C
InChIInChI=1S/C12H27N/c1-5-7-8-9-10-13-12(6-2)11(3)4/h11-13H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyADWKWKIWRQOAHF-GFCCVEGCSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds8

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

N-[(3R)-2-methylpentan-3-yl]hexan-1-amine (PubChem CID 162530079) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-[(3R)-2-methylpentan-3-yl]hexan-1-amine.

Molecular Properties

Compound NameN-[(3R)-2-methylpentan-3-yl]hexan-1-amine
PubChem CID162530079
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-[(3R)-2-methylpentan-3-yl]hexan-1-amine
SMILESCCCCCCN[C@H](CC)C(C)C
InChIInChI=1S/C12H27N/c1-5-7-8-9-10-13-12(6-2)11(3)4/h11-13H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyADWKWKIWRQOAHF-GFCCVEGCSA-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'}

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Related Compounds

(2S)-3-methyl-2-(octylamino)butan-1-ol
CID 79248963
2-N-dodecyl-3-methylbutane-1,2-diamine
CID 106345395
N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
CID 65049550
4-methyl-3-(nonylamino)pentan-1-ol
CID 106349451
N-(3-butoxypropyl)-2-methylpentan-3-amine
CID 115704440
N-(3-chloropropyl)-2-methylpentan-3-amine
CID 88742060
N-butan-2-yldodecan-1-amine
CID 63489622
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
N-butan-2-ylundecan-1-amine
CID 151961423
N-propan-2-ylicosan-1-amine
CID 87246132
(4S)-4-ethyl-N-pentylnonan-3-amine
CID 89384517
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-methylpentan-3-yl]hexan-1-amine?
The IUPAC name of N-[(3R)-2-methylpentan-3-yl]hexan-1-amine (CID 162530079) is N-[(3R)-2-methylpentan-3-yl]hexan-1-amine.
What is the SMILES notation for N-[(3R)-2-methylpentan-3-yl]hexan-1-amine?
The canonical SMILES for N-[(3R)-2-methylpentan-3-yl]hexan-1-amine is CCCCCCN[C@H](CC)C(C)C.
What is the InChIKey of N-[(3R)-2-methylpentan-3-yl]hexan-1-amine?
The InChIKey is ADWKWKIWRQOAHF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H27N/c1-5-7-8-9-10-13-12(6-2)11(3)4/h11-13H,5-10H2,1-4H3/t12-/m1/s1.
What are the key properties of N-[(3R)-2-methylpentan-3-yl]hexan-1-amine?
N-[(3R)-2-methylpentan-3-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-[(3R)-2-methylpentan-3-yl]hexan-1-amine is sourced from PubChem (CID 162530079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).