2,2-dimethyl-5-(3-methylhex-5-en-2-ylamino)pentan-1-ol

C14H29NO — CID 115723360

IUPAC2,2-dimethyl-5-(3-methylhex-5-en-2-ylamino)pentan-1-ol
SMILESC=CCC(C)C(C)NCCCC(C)(C)CO
InChIInChI=1S/C14H29NO/c1-6-8-12(2)13(3)15-10-7-9-14(4,5)11-16/h6,12-13,15-16H,1,7-11H2,2-5H3
InChIKeyNMSQVIHJUCDFCC-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.98
Rot. Bonds9

About 2,2-dimethyl-5-(3-methylhex-5-en-2-ylamino)pentan-1-ol

2,2-dimethyl-5-(3-methylhex-5-en-2-ylamino)pentan-1-ol (PubChem CID 115723360) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2,2-dimethyl-5-(3-methylhex-5-en-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-(3-methylhex-5-en-2-ylamino)pentan-1-ol
PubChem CID115723360
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2,2-dimethyl-5-(3-methylhex-5-en-2-ylamino)pentan-1-ol
SMILESC=CCC(C)C(C)NCCCC(C)(C)CO
InChIInChI=1S/C14H29NO/c1-6-8-12(2)13(3)15-10-7-9-14(4,5)11-16/h6,12-13,15-16H,1,7-11H2,2-5H3
InChIKeyNMSQVIHJUCDFCC-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.98
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'}

Analyze 2,2-dimethyl-5-(3-methylhex-5-en-2-ylamino)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

2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethan-1-ol
CID 22825905
2-[(3R)-3-ethenylpiperidin-4-yl]ethanol
CID 70502413
2-Methyl-4-[(pent-4-enylamino)methyl]hexan-1-ol
CID 89126691
2-(3-Ethenylpiperidin-4-yl)propan-1-ol
CID 123575664
2-Ethyl-3-(methylamino)hex-5-en-1-ol
CID 142059283
(2S)-4-[[(5-amino-3,3,5-trimethylhex-1-en-2-yl)amino]methyl]-2-methylhex-5-en-1-ol
CID 146359257
2-Methyl-2-(1,2,3,4-tetrahydropyridin-4-yl)propan-1-ol
CID 146493716
Ethane;2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol
CID 177180640
2-(3-Ethenylpiperidin-4-yl)ethanol
CID 20468258
2-(But-3-enylamino)-4-methylpentan-1-ol
CID 64313735
4-Methyl-2-(pent-4-enylamino)pentan-1-ol
CID 64313736
3-[(Pent-4-enylamino)methyl]pentan-1-ol
CID 80290025

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(3-methylhex-5-en-2-ylamino)pentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-(3-methylhex-5-en-2-ylamino)pentan-1-ol (CID 115723360) is 2,2-dimethyl-5-(3-methylhex-5-en-2-ylamino)pentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-(3-methylhex-5-en-2-ylamino)pentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-(3-methylhex-5-en-2-ylamino)pentan-1-ol is C=CCC(C)C(C)NCCCC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-5-(3-methylhex-5-en-2-ylamino)pentan-1-ol?
The InChIKey is NMSQVIHJUCDFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-8-12(2)13(3)15-10-7-9-14(4,5)11-16/h6,12-13,15-16H,1,7-11H2,2-5H3.
What are the key properties of 2,2-dimethyl-5-(3-methylhex-5-en-2-ylamino)pentan-1-ol?
2,2-dimethyl-5-(3-methylhex-5-en-2-ylamino)pentan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(3-methylhex-5-en-2-ylamino)pentan-1-ol is sourced from PubChem (CID 115723360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).