(Z)-2,4-dimethyl-5-(propan-2-ylamino)pent-3-en-2-ol

C10H21NO — CID 14398058

IUPAC(Z)-2,4-dimethyl-5-(propan-2-ylamino)pent-3-en-2-ol
SMILESC/C(=C/C(C)(C)O)CNC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)11-7-9(3)6-10(4,5)12/h6,8,11-12H,7H2,1-5H3/b9-6-
InChIKeyVNUVCOKGYDTVSN-TWGQIWQCSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds4

About (Z)-2,4-dimethyl-5-(propan-2-ylamino)pent-3-en-2-ol

(Z)-2,4-dimethyl-5-(propan-2-ylamino)pent-3-en-2-ol (PubChem CID 14398058) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (Z)-2,4-dimethyl-5-(propan-2-ylamino)pent-3-en-2-ol.

Molecular Properties

Compound Name(Z)-2,4-dimethyl-5-(propan-2-ylamino)pent-3-en-2-ol
PubChem CID14398058
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(Z)-2,4-dimethyl-5-(propan-2-ylamino)pent-3-en-2-ol
SMILESC/C(=C/C(C)(C)O)CNC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)11-7-9(3)6-10(4,5)12/h6,8,11-12H,7H2,1-5H3/b9-6-
InChIKeyVNUVCOKGYDTVSN-TWGQIWQCSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.70
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

(2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol
CID 126583250
(2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol
CID 142924430
ethane;(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol
CID 143024131
(3E,5Z)-4-[(1S)-1-(methylamino)ethyl]octa-1,3,5-trien-2-ol
CID 143401875
ethane;(Z)-2-methyl-3-(propan-2-ylamino)pent-3-en-2-ol
CID 143542015
(2Z,4E)-7-(ethylamino)-3-methylhepta-2,4-dien-4-ol
CID 153138661
(E)-4-methyl-3-(methylamino)hex-4-en-3-ol
CID 160449792
(E,5R)-4-methyl-5-(methylamino)hex-3-en-2-ol
CID 163900525
(3E,5Z)-2,3,5-trimethyl-8-(methylamino)octa-3,5-dien-2-ol
CID 167082403
(Z)-4-methyl-5-(methylamino)hex-3-en-2-ol
CID 173857689
(Z)-5-(cyclohexylamino)-2-methylpent-3-en-2-ol
CID 14315755
(Z)-5-(cyclohexylamino)-2,4-dimethylpent-3-en-2-ol
CID 14315763

Frequently Asked Questions

What is the IUPAC name of (Z)-2,4-dimethyl-5-(propan-2-ylamino)pent-3-en-2-ol?
The IUPAC name of (Z)-2,4-dimethyl-5-(propan-2-ylamino)pent-3-en-2-ol (CID 14398058) is (Z)-2,4-dimethyl-5-(propan-2-ylamino)pent-3-en-2-ol.
What is the SMILES notation for (Z)-2,4-dimethyl-5-(propan-2-ylamino)pent-3-en-2-ol?
The canonical SMILES for (Z)-2,4-dimethyl-5-(propan-2-ylamino)pent-3-en-2-ol is C/C(=C/C(C)(C)O)CNC(C)C.
What is the InChIKey of (Z)-2,4-dimethyl-5-(propan-2-ylamino)pent-3-en-2-ol?
The InChIKey is VNUVCOKGYDTVSN-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)11-7-9(3)6-10(4,5)12/h6,8,11-12H,7H2,1-5H3/b9-6-.
What are the key properties of (Z)-2,4-dimethyl-5-(propan-2-ylamino)pent-3-en-2-ol?
(Z)-2,4-dimethyl-5-(propan-2-ylamino)pent-3-en-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,4-dimethyl-5-(propan-2-ylamino)pent-3-en-2-ol is sourced from PubChem (CID 14398058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).