N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine

C18H30N2 — CID 106902089

IUPACN-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine
SMILESCCCCCN(CC1CNc2ccccc2C1)C(C)C
InChIInChI=1S/C18H30N2/c1-4-5-8-11-20(15(2)3)14-16-12-17-9-6-7-10-18(17)19-13-16/h6-7,9-10,15-16,19H,4-5,8,11-14H2,1-3H3
InChIKeyIXXCZXFOPABVKR-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.17
Rot. Bonds7

About N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine

N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine (PubChem CID 106902089) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine
PubChem CID106902089
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine
SMILESCCCCCN(CC1CNc2ccccc2C1)C(C)C
InChIInChI=1S/C18H30N2/c1-4-5-8-11-20(15(2)3)14-16-12-17-9-6-7-10-18(17)19-13-16/h6-7,9-10,15-16,19H,4-5,8,11-14H2,1-3H3
InChIKeyIXXCZXFOPABVKR-UHFFFAOYSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine with MolForge

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Related Compounds

N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901965
N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949
N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901978
N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine
CID 106902070
N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine
CID 106902107
3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
CID 106781112
3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine
CID 106902239
N-butan-2-yl-N-(2,3-dihydro-1H-indol-2-ylmethyl)butan-1-amine
CID 80567596
N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
CID 106902191
N-methyl-N-[(2-methylphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902024
3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline
CID 76504253
octan-2-yl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902768

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine?
The IUPAC name of N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine (CID 106902089) is N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine.
What is the SMILES notation for N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine?
The canonical SMILES for N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine is CCCCCN(CC1CNc2ccccc2C1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine?
The InChIKey is IXXCZXFOPABVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-5-8-11-20(15(2)3)14-16-12-17-9-6-7-10-18(17)19-13-16/h6-7,9-10,15-16,19H,4-5,8,11-14H2,1-3H3.
What are the key properties of N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine?
N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine is sourced from PubChem (CID 106902089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).