N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine

C15H31NO2 — CID 65091481

IUPACN-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NC(C)C(OC)OC)CC1
InChIInChI=1S/C15H31NO2/c1-5-7-13-8-6-9-14(11-10-13)16-12(2)15(17-3)18-4/h12-16H,5-11H2,1-4H3
InChIKeyQHUGOQJFZOJKEB-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.33
Rot. Bonds7

About N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine

N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine (PubChem CID 65091481) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine
PubChem CID65091481
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NC(C)C(OC)OC)CC1
InChIInChI=1S/C15H31NO2/c1-5-7-13-8-6-9-14(11-10-13)16-12(2)15(17-3)18-4/h12-16H,5-11H2,1-4H3
InChIKeyQHUGOQJFZOJKEB-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine
CID 65080149
N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine
CID 63456173
N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine
CID 113457752
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
4-propyl-N-(1-pyridin-4-ylethyl)cycloheptan-1-amine
CID 65087218
4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine
CID 65091606
N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine
CID 65086617
4-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine
CID 65091708
N-[1-(2,6-difluorophenyl)ethyl]-4-propylcycloheptan-1-amine
CID 65091642
4-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cycloheptan-1-amine
CID 106282309
N-(3-methoxybutan-2-yl)cyclobutanamine
CID 115889558
N-[(2R)-3-methoxybutan-2-yl]cyclobutanamine
CID 131222697

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine (CID 65091481) is N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine is CCCC1CCCC(NC(C)C(OC)OC)CC1.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine?
The InChIKey is QHUGOQJFZOJKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-7-13-8-6-9-14(11-10-13)16-12(2)15(17-3)18-4/h12-16H,5-11H2,1-4H3.
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine?
N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65091481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).