(2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine

C10H21N — CID 94400360

IUPAC(2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine
SMILESC=C(C)CN[C@H](C)[C@@H](C)CC
InChIInChI=1S/C10H21N/c1-6-9(4)10(5)11-7-8(2)3/h9-11H,2,6-7H2,1,3-5H3/t9-,10+/m0/s1
InChIKeyJVPDHFKCCDSVLI-VHSXEESVSA-N
MW155.28 g/mol
LogP2.59
Rot. Bonds5

About (2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine

(2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine (PubChem CID 94400360) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine.

Molecular Properties

Compound Name(2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine
PubChem CID94400360
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine
SMILESC=C(C)CN[C@H](C)[C@@H](C)CC
InChIInChI=1S/C10H21N/c1-6-9(4)10(5)11-7-8(2)3/h9-11H,2,6-7H2,1,3-5H3/t9-,10+/m0/s1
InChIKeyJVPDHFKCCDSVLI-VHSXEESVSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(2-methylidenebutyl)pentan-2-amine
CID 66045931
N-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine
CID 102870155
N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide
CID 61463687
trimethyl-[1-(2-methylprop-2-enylamino)propyl]azanium chloride
CID 87195917
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol
CID 28728055
N-(methoxymethyl)-3-methylpentan-2-amine
CID 143368694
5-ethyl-2,4-dimethylhept-1-ene
CID 90728218
N-(2-methylbutan-2-yl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61486133
2-methyl-N-(2-methylprop-2-enyl)butanamide
CID 114618817
(4S)-2,3,4-trimethylhex-1-ene
CID 169204479
(2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine
CID 28614527
N-butyl-3-methylpentan-2-amine
CID 43200990

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine?
The IUPAC name of (2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine (CID 94400360) is (2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine.
What is the SMILES notation for (2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine?
The canonical SMILES for (2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine is C=C(C)CN[C@H](C)[C@@H](C)CC.
What is the InChIKey of (2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine?
The InChIKey is JVPDHFKCCDSVLI-VHSXEESVSA-N. The full InChI is InChI=1S/C10H21N/c1-6-9(4)10(5)11-7-8(2)3/h9-11H,2,6-7H2,1,3-5H3/t9-,10+/m0/s1.
What are the key properties of (2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine?
(2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine has a molecular weight of 155.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine is sourced from PubChem (CID 94400360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).