N-(5-hydroxypentyl)formamide;1,1,3-trimethyl-4-propan-2-ylcyclohexane

C18H37NO2 — CID 145159350

IUPACN-(5-hydroxypentyl)formamide;1,1,3-trimethyl-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(C)(C)CC1C.O=CNCCCCCO
InChIInChI=1S/C12H24.C6H13NO2/c1-9(2)11-6-7-12(4,5)8-10(11)3;8-5-3-1-2-4-7-6-9/h9-11H,6-8H2,1-5H3;6,8H,1-5H2,(H,7,9)
InChIKeyPJYHOQISGAYQDF-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.00
Rot. Bonds7

About N-(5-hydroxypentyl)formamide;1,1,3-trimethyl-4-propan-2-ylcyclohexane

N-(5-hydroxypentyl)formamide;1,1,3-trimethyl-4-propan-2-ylcyclohexane (PubChem CID 145159350) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is N-(5-hydroxypentyl)formamide;1,1,3-trimethyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound NameN-(5-hydroxypentyl)formamide;1,1,3-trimethyl-4-propan-2-ylcyclohexane
PubChem CID145159350
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC NameN-(5-hydroxypentyl)formamide;1,1,3-trimethyl-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(C)(C)CC1C.O=CNCCCCCO
InChIInChI=1S/C12H24.C6H13NO2/c1-9(2)11-6-7-12(4,5)8-10(11)3;8-5-3-1-2-4-7-6-9/h9-11H,6-8H2,1-5H3;6,8H,1-5H2,(H,7,9)
InChIKeyPJYHOQISGAYQDF-UHFFFAOYSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol
CID 104537039
1-ethyl-1,3-dimethyl-4-propan-2-ylcyclohexane
CID 158729165
4-butan-2-yl-1,1,3-trimethylcyclohexane
CID 142412996
6-[(2,4,4-trimethylcyclopentyl)amino]hexan-1-ol
CID 106813241
6-[(5-methyl-2-propan-2-ylcyclohexyl)amino]hexan-1-ol
CID 103922216
1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane
CID 18735015
(1R)-5,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
CID 134302475
1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane
CID 140846235
6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol
CID 114008759
N-(3,3-dimethylcyclopentyl)-5-hydroxypentanamide
CID 114541453
N-propyl-1-(2,4,4-trimethylcyclohexyl)butan-1-amine
CID 83050598
N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 122582300

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)formamide;1,1,3-trimethyl-4-propan-2-ylcyclohexane?
The IUPAC name of N-(5-hydroxypentyl)formamide;1,1,3-trimethyl-4-propan-2-ylcyclohexane (CID 145159350) is N-(5-hydroxypentyl)formamide;1,1,3-trimethyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for N-(5-hydroxypentyl)formamide;1,1,3-trimethyl-4-propan-2-ylcyclohexane?
The canonical SMILES for N-(5-hydroxypentyl)formamide;1,1,3-trimethyl-4-propan-2-ylcyclohexane is CC(C)C1CCC(C)(C)CC1C.O=CNCCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)formamide;1,1,3-trimethyl-4-propan-2-ylcyclohexane?
The InChIKey is PJYHOQISGAYQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.C6H13NO2/c1-9(2)11-6-7-12(4,5)8-10(11)3;8-5-3-1-2-4-7-6-9/h9-11H,6-8H2,1-5H3;6,8H,1-5H2,(H,7,9).
What are the key properties of N-(5-hydroxypentyl)formamide;1,1,3-trimethyl-4-propan-2-ylcyclohexane?
N-(5-hydroxypentyl)formamide;1,1,3-trimethyl-4-propan-2-ylcyclohexane has a molecular weight of 299.50 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)formamide;1,1,3-trimethyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 145159350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).