3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol

C13H25NO — CID 115894959

IUPAC3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol
SMILESC=CCCC(NCC(C)(C)CO)C1CC1
InChIInChI=1S/C13H25NO/c1-4-5-6-12(11-7-8-11)14-9-13(2,3)10-15/h4,11-12,14-15H,1,5-10H2,2-3H3
InChIKeyBIWIDBGMYUSCPC-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.34
Rot. Bonds8

About 3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol

3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol (PubChem CID 115894959) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol
PubChem CID115894959
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol
SMILESC=CCCC(NCC(C)(C)CO)C1CC1
InChIInChI=1S/C13H25NO/c1-4-5-6-12(11-7-8-11)14-9-13(2,3)10-15/h4,11-12,14-15H,1,5-10H2,2-3H3
InChIKeyBIWIDBGMYUSCPC-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1R)-2-ethenylcyclohexyl]amino]propan-1-ol
CID 118281674
2-Ethyl-3-(methylamino)hex-5-en-1-ol
CID 142059283
3-((2-Methylhex-5-en-3-yl)amino)propan-1-ol
CID 2772048
2-(Hept-1-en-4-ylamino)-3-methylbutan-1-ol
CID 4711935
3-(Hept-1-en-4-ylamino)propan-1-ol
CID 4711954
3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium
CID 7061517
3-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol
CID 7061518
3-hydroxypropyl-[(3S)-2-methylhex-5-en-3-yl]azanium
CID 7061519
3-[[(3S)-2-methylhex-5-en-3-yl]amino]propan-1-ol
CID 7061520
(2R)-2-(1-cyclopropylpent-4-enylamino)propan-1-ol
CID 103827857
(2S)-2-(1-cyclopropylpent-4-enylamino)propan-1-ol
CID 103827896
(3R)-3-(1-cyclopropylpent-4-enylamino)butan-1-ol
CID 103871664

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol (CID 115894959) is 3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol is C=CCCC(NCC(C)(C)CO)C1CC1.
What is the InChIKey of 3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol?
The InChIKey is BIWIDBGMYUSCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-6-12(11-7-8-11)14-9-13(2,3)10-15/h4,11-12,14-15H,1,5-10H2,2-3H3.
What are the key properties of 3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol?
3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115894959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).