1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine

C18H28N2 — CID 60710061

IUPAC1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCCN(CC1CC1)C1(CN)CCCc2ccccc21
InChIInChI=1S/C18H28N2/c1-2-12-20(13-15-9-10-15)18(14-19)11-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,15H,2,5,7,9-14,19H2,1H3
InChIKeyOEXWSCAGHUOQPE-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.30
Rot. Bonds6

About 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine

1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 60710061) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID60710061
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCCN(CC1CC1)C1(CN)CCCc2ccccc21
InChIInChI=1S/C18H28N2/c1-2-12-20(13-15-9-10-15)18(14-19)11-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,15H,2,5,7,9-14,19H2,1H3
InChIKeyOEXWSCAGHUOQPE-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine (CID 60710061) is 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine is CCCN(CC1CC1)C1(CN)CCCc2ccccc21.
What is the InChIKey of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is OEXWSCAGHUOQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-12-20(13-15-9-10-15)18(14-19)11-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,15H,2,5,7,9-14,19H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine?
1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 60710061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).