1-(heptan-2-ylamino)butan-1-ol

C11H25NO — CID 155661002

IUPAC1-(heptan-2-ylamino)butan-1-ol
SMILESCCCCCC(C)NC(O)CCC
InChIInChI=1S/C11H25NO/c1-4-6-7-9-10(3)12-11(13)8-5-2/h10-13H,4-9H2,1-3H3
InChIKeyFUGDHPXKEOJXTL-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.66
Rot. Bonds8

About 1-(heptan-2-ylamino)butan-1-ol

1-(heptan-2-ylamino)butan-1-ol (PubChem CID 155661002) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-(heptan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name1-(heptan-2-ylamino)butan-1-ol
PubChem CID155661002
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name1-(heptan-2-ylamino)butan-1-ol
SMILESCCCCCC(C)NC(O)CCC
InChIInChI=1S/C11H25NO/c1-4-6-7-9-10(3)12-11(13)8-5-2/h10-13H,4-9H2,1-3H3
InChIKeyFUGDHPXKEOJXTL-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(pentadecan-2-ylamino)ethanol
CID 90985657
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
1-(nonan-2-ylamino)ethanol;hydrochloride
CID 175146567
N-heptan-4-ylheptan-2-amine
CID 43572732
1-(1-hydroxyethylamino)hexan-1-ol
CID 57293401
(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
(2S)-N-butan-2-ylheptan-2-amine
CID 163467139
2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463
1-(1-aminobutylamino)heptan-1-ol
CID 142734448
(2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol
CID 28724696
N-hexadecan-2-ylhydroxylamine
CID 54390562
1-(octan-3-ylamino)hexan-1-ol
CID 155661048

Frequently Asked Questions

What is the IUPAC name of 1-(heptan-2-ylamino)butan-1-ol?
The IUPAC name of 1-(heptan-2-ylamino)butan-1-ol (CID 155661002) is 1-(heptan-2-ylamino)butan-1-ol.
What is the SMILES notation for 1-(heptan-2-ylamino)butan-1-ol?
The canonical SMILES for 1-(heptan-2-ylamino)butan-1-ol is CCCCCC(C)NC(O)CCC.
What is the InChIKey of 1-(heptan-2-ylamino)butan-1-ol?
The InChIKey is FUGDHPXKEOJXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-6-7-9-10(3)12-11(13)8-5-2/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-(heptan-2-ylamino)butan-1-ol?
1-(heptan-2-ylamino)butan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(heptan-2-ylamino)butan-1-ol is sourced from PubChem (CID 155661002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).