3-(2-methylhex-5-en-3-ylamino)propan-1-ol

C10H21NO — CID 2772048

IUPAC3-(2-methylhex-5-en-3-ylamino)propan-1-ol
SMILESC=CCC(NCCCO)C(C)C
InChIInChI=1S/C10H21NO/c1-4-6-10(9(2)3)11-7-5-8-12/h4,9-12H,1,5-8H2,2-3H3
InChIKeyLIYVIZSRTSCAJW-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.56
Rot. Bonds7

About 3-(2-methylhex-5-en-3-ylamino)propan-1-ol

3-(2-methylhex-5-en-3-ylamino)propan-1-ol (PubChem CID 2772048) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(2-methylhex-5-en-3-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylhex-5-en-3-ylamino)propan-1-ol
PubChem CID2772048
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(2-methylhex-5-en-3-ylamino)propan-1-ol
SMILESC=CCC(NCCCO)C(C)C
InChIInChI=1S/C10H21NO/c1-4-6-10(9(2)3)11-7-5-8-12/h4,9-12H,1,5-8H2,2-3H3
InChIKeyLIYVIZSRTSCAJW-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylhex-5-en-3-ylamino)propan-2-ol
CID 2772037
3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol
CID 115705201
1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine
CID 65049227
1-(3-hydroxypropylamino)-2-methylnon-8-en-1-ol
CID 123988888
4-methyl-3-(nonylamino)pentan-1-ol
CID 106349451
3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol
CID 65378666
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide
CID 13435877
4-(propan-2-ylamino)butan-1-ol
CID 12950986
(2S)-3-methyl-2-(octylamino)butan-1-ol
CID 79248963
3-[2-(2-methylpentan-3-ylamino)ethylsulfanyl]propan-1-ol
CID 115717861
N-pent-4-en-2-ylpentan-1-amine;hydrochloride
CID 155386341
2-(3-hydroxypropylamino)-3-methylbutanamide
CID 103914237

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylhex-5-en-3-ylamino)propan-1-ol?
The IUPAC name of 3-(2-methylhex-5-en-3-ylamino)propan-1-ol (CID 2772048) is 3-(2-methylhex-5-en-3-ylamino)propan-1-ol.
What is the SMILES notation for 3-(2-methylhex-5-en-3-ylamino)propan-1-ol?
The canonical SMILES for 3-(2-methylhex-5-en-3-ylamino)propan-1-ol is C=CCC(NCCCO)C(C)C.
What is the InChIKey of 3-(2-methylhex-5-en-3-ylamino)propan-1-ol?
The InChIKey is LIYVIZSRTSCAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-10(9(2)3)11-7-5-8-12/h4,9-12H,1,5-8H2,2-3H3.
What are the key properties of 3-(2-methylhex-5-en-3-ylamino)propan-1-ol?
3-(2-methylhex-5-en-3-ylamino)propan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylhex-5-en-3-ylamino)propan-1-ol is sourced from PubChem (CID 2772048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).