1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethyl-5-methylhexan-1-ol

C16H33NO — CID 88588672

IUPAC1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethyl-5-methylhexan-1-ol
SMILESC=C(C)[C@H](NC(O)CC(CC)CC(C)C)C(C)C
InChIInChI=1S/C16H33NO/c1-8-14(9-11(2)3)10-15(18)17-16(12(4)5)13(6)7/h11,13-18H,4,8-10H2,1-3,5-7H3/t14?,15?,16-/m0/s1
InChIKeyXMOUZVDRJRCUEQ-GPANFISMSA-N
MW255.45 g/mol
LogP3.96
Rot. Bonds9

About 1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethyl-5-methylhexan-1-ol

1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethyl-5-methylhexan-1-ol (PubChem CID 88588672) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethyl-5-methylhexan-1-ol.

Molecular Properties

Compound Name1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethyl-5-methylhexan-1-ol
PubChem CID88588672
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethyl-5-methylhexan-1-ol
SMILESC=C(C)[C@H](NC(O)CC(CC)CC(C)C)C(C)C
InChIInChI=1S/C16H33NO/c1-8-14(9-11(2)3)10-15(18)17-16(12(4)5)13(6)7/h11,13-18H,4,8-10H2,1-3,5-7H3/t14?,15?,16-/m0/s1
InChIKeyXMOUZVDRJRCUEQ-GPANFISMSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-((2S,4S)-4-methyl-3-methylenepyrrolidin-2-yl)ethanol
CID 44825384
2-((2R,4R)-4-methyl-3-methylenepyrrolidin-2-yl)ethanol
CID 46902161
1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethenyl-5-methylhexan-1-ol
CID 88588470
(4S)-2,7-dimethyl-4-[4-(propan-2-ylamino)butyl]oct-1-en-3-ol
CID 169684895
3-[(Hex-5-en-2-ylamino)methyl]hexan-1-ol
CID 104582833
3-[(2-Methylidenebutylamino)methyl]hexan-1-ol
CID 106115164
3-[(But-3-en-2-ylamino)methyl]hexan-1-ol
CID 106115192
3-[(3-Methylbut-3-enylamino)methyl]hexan-1-ol
CID 106115291
[2-(2-Methylidenebutylamino)cyclopentyl]methanol
CID 106360716

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethyl-5-methylhexan-1-ol?
The IUPAC name of 1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethyl-5-methylhexan-1-ol (CID 88588672) is 1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethyl-5-methylhexan-1-ol.
What is the SMILES notation for 1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethyl-5-methylhexan-1-ol?
The canonical SMILES for 1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethyl-5-methylhexan-1-ol is C=C(C)[C@H](NC(O)CC(CC)CC(C)C)C(C)C.
What is the InChIKey of 1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethyl-5-methylhexan-1-ol?
The InChIKey is XMOUZVDRJRCUEQ-GPANFISMSA-N. The full InChI is InChI=1S/C16H33NO/c1-8-14(9-11(2)3)10-15(18)17-16(12(4)5)13(6)7/h11,13-18H,4,8-10H2,1-3,5-7H3/t14?,15?,16-/m0/s1.
What are the key properties of 1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethyl-5-methylhexan-1-ol?
1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethyl-5-methylhexan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethyl-5-methylhexan-1-ol is sourced from PubChem (CID 88588672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).