N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine

C16H24N2 — CID 167959230

IUPACN-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCc1cccc2c1CCCN2
InChIInChI=1S/C16H24N2/c1-3-4-7-13(2)18-12-14-8-5-10-16-15(14)9-6-11-17-16/h3,5,8,10,13,17-18H,1,4,6-7,9,11-12H2,2H3
InChIKeyKQIAUWIINMTCBT-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.49
Rot. Bonds6

About N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine

N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine (PubChem CID 167959230) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine
PubChem CID167959230
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCc1cccc2c1CCCN2
InChIInChI=1S/C16H24N2/c1-3-4-7-13(2)18-12-14-8-5-10-16-15(14)9-6-11-17-16/h3,5,8,10,13,17-18H,1,4,6-7,9,11-12H2,2H3
InChIKeyKQIAUWIINMTCBT-UHFFFAOYSA-N
XLogP3.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine
CID 104581823
2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine
CID 103462222
1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride
CID 43810457
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
N-(pyridin-2-ylmethyl)hex-5-en-2-amine
CID 75525482
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine
CID 80648821
(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine
CID 97358797
N-[(3-fluorophenyl)methyl]hex-5-en-2-amine
CID 75525500
5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline
CID 106780063
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine
CID 81215004
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778070

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine (CID 167959230) is N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine is C=CCCC(C)NCc1cccc2c1CCCN2.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine?
The InChIKey is KQIAUWIINMTCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-4-7-13(2)18-12-14-8-5-10-16-15(14)9-6-11-17-16/h3,5,8,10,13,17-18H,1,4,6-7,9,11-12H2,2H3.
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine?
N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine has a molecular weight of 244.38 g/mol, XLogP of 3.49, 6 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-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine is sourced from PubChem (CID 167959230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).