2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol

C16H33NO2 — CID 64802111

IUPAC2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol
SMILESCCCCCCCOC(C)CC(C)(CO)NC1CC1
InChIInChI=1S/C16H33NO2/c1-4-5-6-7-8-11-19-14(2)12-16(3,13-18)17-15-9-10-15/h14-15,17-18H,4-13H2,1-3H3
InChIKeyDPHXCNRQODQBFC-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.26
Rot. Bonds12

About 2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol

2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol (PubChem CID 64802111) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol
PubChem CID64802111
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol
SMILESCCCCCCCOC(C)CC(C)(CO)NC1CC1
InChIInChI=1S/C16H33NO2/c1-4-5-6-7-8-11-19-14(2)12-16(3,13-18)17-15-9-10-15/h14-15,17-18H,4-13H2,1-3H3
InChIKeyDPHXCNRQODQBFC-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-octoxy-2-(propylamino)pentan-1-ol
CID 64809987
2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol
CID 64807509
2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol
CID 106810269
2-methyl-2-(methylamino)-4-propoxypentan-1-ol
CID 64808553
2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile
CID 64726414
N-(4-hexoxypentyl)cyclopropanamine
CID 62455519
4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64810828
2-methyl-2-(methylamino)-4-octoxypentanenitrile
CID 64728157
4-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 114158146
methane;2-octadecoxypropan-1-ol
CID 178185801
2-methyl-2-(methylamino)-4-octoxypentanoic acid
CID 64709002
2,2-dimethyl-3-octoxybutan-1-ol
CID 18961352

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol (CID 64802111) is 2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol is CCCCCCCOC(C)CC(C)(CO)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol?
The InChIKey is DPHXCNRQODQBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-4-5-6-7-8-11-19-14(2)12-16(3,13-18)17-15-9-10-15/h14-15,17-18H,4-13H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol?
2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol has a molecular weight of 271.44 g/mol, XLogP of 3.26, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol is sourced from PubChem (CID 64802111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).