N-(oxolan-3-ylmethyl)cycloheptanamine

C12H23NO — CID 43202465

IUPACN-(oxolan-3-ylmethyl)cycloheptanamine
SMILESC1CCCC(NCC2CCOC2)CC1
InChIInChI=1S/C12H23NO/c1-2-4-6-12(5-3-1)13-9-11-7-8-14-10-11/h11-13H,1-10H2
InChIKeyGCMDTVVSCCSNDK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.34
Rot. Bonds3

About N-(oxolan-3-ylmethyl)cycloheptanamine

N-(oxolan-3-ylmethyl)cycloheptanamine (PubChem CID 43202465) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)cycloheptanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)cycloheptanamine
PubChem CID43202465
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(oxolan-3-ylmethyl)cycloheptanamine
SMILESC1CCCC(NCC2CCOC2)CC1
InChIInChI=1S/C12H23NO/c1-2-4-6-12(5-3-1)13-9-11-7-8-14-10-11/h11-13H,1-10H2
InChIKeyGCMDTVVSCCSNDK-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
N-(oxan-4-ylmethyl)cyclohexanamine
CID 61269562
N-(oxan-4-ylmethyl)cycloheptanamine
CID 61269563
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
CID 130735391
N-[2-(oxolan-3-yl)ethyl]cyclohexanamine
CID 103878945
N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine
CID 65091062
2-(cyclopentylamino)-N-(oxolan-3-ylmethyl)acetamide
CID 60920124
(3S)-N-(cyclopentylmethyl)oxan-3-amine
CID 95305960
3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine
CID 79461363
N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895785
1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 54866671
N-(oxolan-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 43206664

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)cycloheptanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)cycloheptanamine (CID 43202465) is N-(oxolan-3-ylmethyl)cycloheptanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)cycloheptanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)cycloheptanamine is C1CCCC(NCC2CCOC2)CC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)cycloheptanamine?
The InChIKey is GCMDTVVSCCSNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-4-6-12(5-3-1)13-9-11-7-8-14-10-11/h11-13H,1-10H2.
What are the key properties of N-(oxolan-3-ylmethyl)cycloheptanamine?
N-(oxolan-3-ylmethyl)cycloheptanamine has a molecular weight of 197.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)cycloheptanamine is sourced from PubChem (CID 43202465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).