2,2-dimethyl-3-(pent-4-enylamino)propan-1-ol

C10H21NO — CID 115359803

IUPAC2,2-dimethyl-3-(pent-4-enylamino)propan-1-ol
SMILESC=CCCCNCC(C)(C)CO
InChIInChI=1S/C10H21NO/c1-4-5-6-7-11-8-10(2,3)9-12/h4,11-12H,1,5-9H2,2-3H3
InChIKeyKGZRMTVNQQVFSS-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.56
Rot. Bonds7

About 2,2-dimethyl-3-(pent-4-enylamino)propan-1-ol

2,2-dimethyl-3-(pent-4-enylamino)propan-1-ol (PubChem CID 115359803) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(pent-4-enylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(pent-4-enylamino)propan-1-ol
PubChem CID115359803
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2,2-dimethyl-3-(pent-4-enylamino)propan-1-ol
SMILESC=CCCCNCC(C)(C)CO
InChIInChI=1S/C10H21NO/c1-4-5-6-7-11-8-10(2,3)9-12/h4,11-12H,1,5-9H2,2-3H3
InChIKeyKGZRMTVNQQVFSS-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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(pent-4-enylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(pent-4-enylamino)propan-1-ol (CID 115359803) is 2,2-dimethyl-3-(pent-4-enylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(pent-4-enylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(pent-4-enylamino)propan-1-ol is C=CCCCNCC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-(pent-4-enylamino)propan-1-ol?
The InChIKey is KGZRMTVNQQVFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-6-7-11-8-10(2,3)9-12/h4,11-12H,1,5-9H2,2-3H3.
What are the key properties of 2,2-dimethyl-3-(pent-4-enylamino)propan-1-ol?
2,2-dimethyl-3-(pent-4-enylamino)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 2,2-dimethyl-3-(pent-4-enylamino)propan-1-ol is sourced from PubChem (CID 115359803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).