(5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

C17H29NO — CID 14964967

IUPAC(5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@@H]1CC=C(C)C(O)(C(=C)CNCCCC)C1
InChIInChI=1S/C17H29NO/c1-6-7-10-18-12-15(5)17(19)11-16(13(2)3)9-8-14(17)4/h8,16,18-19H,2,5-7,9-12H2,1,3-4H3/t16-,17?/m1/s1
InChIKeyIUSAWBBSVUXKFK-TZHYSIJRSA-N
MW263.42 g/mol
LogP3.60
Rot. Bonds7

About (5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

(5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol (PubChem CID 14964967) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is (5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
PubChem CID14964967
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name(5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@@H]1CC=C(C)C(O)(C(=C)CNCCCC)C1
InChIInChI=1S/C17H29NO/c1-6-7-10-18-12-15(5)17(19)11-16(13(2)3)9-8-14(17)4/h8,16,18-19H,2,5-7,9-12H2,1,3-4H3/t16-,17?/m1/s1
InChIKeyIUSAWBBSVUXKFK-TZHYSIJRSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.60
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-[3-(Butylamino)prop-1-en-2-yl]cyclohexan-1-ol
CID 10420692
2,3,4,5,6,7-hexahydro-1H-isoquinolin-4a-ol
CID 69227002
4-Cyclohexa-1,3-dien-1-ylpiperidin-4-ol
CID 143193857
4-(6-Methylcyclohexa-1,3-dien-1-yl)piperidin-4-ol
CID 164066883
7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol
CID 175809370
4-(2,6-Diallyl-1,2,5,6-tetrahydro-3-pyridinyl)-1,6-heptadien-4-ol
CID 6611709
1-[3-(Butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 10400546
4-[(2S,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-5-yl]hepta-1,6-dien-4-ol
CID 15366711
4-[(2S,6R)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-5-yl]hepta-1,6-dien-4-ol
CID 15366712
4-[(2R,6R)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-5-yl]hepta-1,6-dien-4-ol
CID 30226604
4-[(2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-5-yl]hepta-1,6-dien-4-ol
CID 30226615
1-(2-{[(2E)-3,7-dimethyl-2,6-octadien-1-yl]amino}ethyl)cyclopentanol
CID 39746149

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol (CID 14964967) is (5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol is C=C(C)[C@@H]1CC=C(C)C(O)(C(=C)CNCCCC)C1.
What is the InChIKey of (5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The InChIKey is IUSAWBBSVUXKFK-TZHYSIJRSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-7-10-18-12-15(5)17(19)11-16(13(2)3)9-8-14(17)4/h8,16,18-19H,2,5-7,9-12H2,1,3-4H3/t16-,17?/m1/s1.
What are the key properties of (5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
(5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 14964967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).