N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine

C15H29NO — CID 65091062

IUPACN-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCC2CCOC2)CC1
InChIInChI=1S/C15H29NO/c1-2-4-13-5-3-6-15(8-7-13)16-11-14-9-10-17-12-14/h13-16H,2-12H2,1H3
InChIKeyUPJJFXNOVSDDNY-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds5

About N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine

N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine (PubChem CID 65091062) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine
PubChem CID65091062
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCC2CCOC2)CC1
InChIInChI=1S/C15H29NO/c1-2-4-13-5-3-6-15(8-7-13)16-11-14-9-10-17-12-14/h13-16H,2-12H2,1H3
InChIKeyUPJJFXNOVSDDNY-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
N-(oxolan-3-ylmethyl)cycloheptanamine
CID 43202465
3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 106124372
N-(oxan-3-ylmethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091408
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
CID 130735391
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091165
N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091371
4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79530082
N-[(3-propylcyclobutyl)methyl]cyclopentanamine
CID 97034535
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
N-(2,2-dimethylpropyl)-4-propylcycloheptan-1-amine
CID 65091749
1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 54866671

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine (CID 65091062) is N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(NCC2CCOC2)CC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine?
The InChIKey is UPJJFXNOVSDDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-4-13-5-3-6-15(8-7-13)16-11-14-9-10-17-12-14/h13-16H,2-12H2,1H3.
What are the key properties of N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine?
N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65091062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).