4,4-dimethyl-3-(prop-2-enylamino)pentan-1-ol

C10H21NO — CID 103949835

IUPAC4,4-dimethyl-3-(prop-2-enylamino)pentan-1-ol
SMILESC=CCNC(CCO)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-5-7-11-9(6-8-12)10(2,3)4/h5,9,11-12H,1,6-8H2,2-4H3
InChIKeyDNZGZPJFWVHRLC-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.56
Rot. Bonds5

About 4,4-dimethyl-3-(prop-2-enylamino)pentan-1-ol

4,4-dimethyl-3-(prop-2-enylamino)pentan-1-ol (PubChem CID 103949835) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4,4-dimethyl-3-(prop-2-enylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(prop-2-enylamino)pentan-1-ol
PubChem CID103949835
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4,4-dimethyl-3-(prop-2-enylamino)pentan-1-ol
SMILESC=CCNC(CCO)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-5-7-11-9(6-8-12)10(2,3)4/h5,9,11-12H,1,6-8H2,2-4H3
InChIKeyDNZGZPJFWVHRLC-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4,4-dimethyl-3-(prop-2-enylamino)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-4-(prop-2-enylamino)pentan-2-ol
CID 17940529
2-Ethyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol
CID 22892476
3-(Prop-2-enylamino)pentane-1,5-diol
CID 87065137
2,2-Bis[(prop-2-enylamino)methyl]butan-1-ol
CID 88886711
4-Methyl-2-(prop-2-enylamino)pentan-1-ol
CID 62141821
4,4-Dimethyl-3-(propylamino)pentan-1-ol
CID 64814478
3-(Ethylamino)-4,4-dimethyl-1-pentanol
CID 64815315
4-(Prop-2-enylamino)pentan-1-ol
CID 80294693
2-Methyl-2-[(prop-2-enylamino)methyl]butan-1-ol
CID 81412182
2-Ethyl-2-[(prop-2-enylamino)methyl]butan-1-ol
CID 81412280
2,2-Dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol
CID 103522628
4,4-Dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol
CID 103949823

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(prop-2-enylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(prop-2-enylamino)pentan-1-ol (CID 103949835) is 4,4-dimethyl-3-(prop-2-enylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(prop-2-enylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(prop-2-enylamino)pentan-1-ol is C=CCNC(CCO)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-(prop-2-enylamino)pentan-1-ol?
The InChIKey is DNZGZPJFWVHRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-7-11-9(6-8-12)10(2,3)4/h5,9,11-12H,1,6-8H2,2-4H3.
What are the key properties of 4,4-dimethyl-3-(prop-2-enylamino)pentan-1-ol?
4,4-dimethyl-3-(prop-2-enylamino)pentan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(prop-2-enylamino)pentan-1-ol is sourced from PubChem (CID 103949835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).