(2R)-2-(heptan-2-ylamino)propan-1-ol

C10H23NO — CID 114986918

IUPAC(2R)-2-(heptan-2-ylamino)propan-1-ol
SMILESCCCCCC(C)N[C@H](C)CO
InChIInChI=1S/C10H23NO/c1-4-5-6-7-9(2)11-10(3)8-12/h9-12H,4-8H2,1-3H3/t9?,10-/m1/s1
InChIKeyHVOJPEYLXGRJGQ-QVDQXJPCSA-N
MW173.30 g/mol
LogP1.93
Rot. Bonds7

About (2R)-2-(heptan-2-ylamino)propan-1-ol

(2R)-2-(heptan-2-ylamino)propan-1-ol (PubChem CID 114986918) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (2R)-2-(heptan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(heptan-2-ylamino)propan-1-ol
PubChem CID114986918
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(2R)-2-(heptan-2-ylamino)propan-1-ol
SMILESCCCCCC(C)N[C@H](C)CO
InChIInChI=1S/C10H23NO/c1-4-5-6-7-9(2)11-10(3)8-12/h9-12H,4-8H2,1-3H3/t9?,10-/m1/s1
InChIKeyHVOJPEYLXGRJGQ-QVDQXJPCSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
(2R)-2-(undecan-6-ylamino)propan-1-ol
CID 114987067
(2S)-N-butan-2-ylheptan-2-amine
CID 163467139
(2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol
CID 28724696
(2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol
CID 79253877
3-(hexan-2-ylamino)butan-1-ol
CID 81338957
1-(pentadecan-2-ylamino)ethanol
CID 90985657
1-(nonan-2-ylamino)ethanol;hydrochloride
CID 175146567
1-(heptan-2-ylamino)butan-1-ol
CID 155661002
2-(nonan-2-ylamino)propanoic acid
CID 61499682
N-heptan-4-ylheptan-2-amine
CID 43572732

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(heptan-2-ylamino)propan-1-ol?
The IUPAC name of (2R)-2-(heptan-2-ylamino)propan-1-ol (CID 114986918) is (2R)-2-(heptan-2-ylamino)propan-1-ol.
What is the SMILES notation for (2R)-2-(heptan-2-ylamino)propan-1-ol?
The canonical SMILES for (2R)-2-(heptan-2-ylamino)propan-1-ol is CCCCCC(C)N[C@H](C)CO.
What is the InChIKey of (2R)-2-(heptan-2-ylamino)propan-1-ol?
The InChIKey is HVOJPEYLXGRJGQ-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-5-6-7-9(2)11-10(3)8-12/h9-12H,4-8H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of (2R)-2-(heptan-2-ylamino)propan-1-ol?
(2R)-2-(heptan-2-ylamino)propan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(heptan-2-ylamino)propan-1-ol is sourced from PubChem (CID 114986918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).