N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine

C14H26N2 — CID 66470617

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine
SMILESC1CCC2NC(CNCC3CC3)CCC2C1
InChIInChI=1S/C14H26N2/c1-2-4-14-12(3-1)7-8-13(16-14)10-15-9-11-5-6-11/h11-16H,1-10H2
InChIKeyWDYPETDIFPXWJQ-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.30
Rot. Bonds4

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine (PubChem CID 66470617) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine
PubChem CID66470617
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine
SMILESC1CCC2NC(CNCC3CC3)CCC2C1
InChIInChI=1S/C14H26N2/c1-2-4-14-12(3-1)7-8-13(16-14)10-15-9-11-5-6-11/h11-16H,1-10H2
InChIKeyWDYPETDIFPXWJQ-UHFFFAOYSA-N
XLogP2.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine (CID 66470617) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine is C1CCC2NC(CNCC3CC3)CCC2C1.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine?
The InChIKey is WDYPETDIFPXWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-4-14-12(3-1)7-8-13(16-14)10-15-9-11-5-6-11/h11-16H,1-10H2.
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine has a molecular weight of 222.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine is sourced from PubChem (CID 66470617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).