2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine

C19H32N2 — CID 63466831

IUPAC2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESCCCCN(C(C)CC)C1(CN)CCc2ccccc2C1
InChIInChI=1S/C19H32N2/c1-4-6-13-21(16(3)5-2)19(15-20)12-11-17-9-7-8-10-18(17)14-19/h7-10,16H,4-6,11-15,20H2,1-3H3
InChIKeyFFYXWDXFWIOYBX-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.77
Rot. Bonds7

About 2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine

2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 63466831) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID63466831
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESCCCCN(C(C)CC)C1(CN)CCc2ccccc2C1
InChIInChI=1S/C19H32N2/c1-4-6-13-21(16(3)5-2)19(15-20)12-11-17-9-7-8-10-18(17)14-19/h7-10,16H,4-6,11-15,20H2,1-3H3
InChIKeyFFYXWDXFWIOYBX-UHFFFAOYSA-N
XLogP3.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine (CID 63466831) is 2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine is CCCCN(C(C)CC)C1(CN)CCc2ccccc2C1.
What is the InChIKey of 2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is FFYXWDXFWIOYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-6-13-21(16(3)5-2)19(15-20)12-11-17-9-7-8-10-18(17)14-19/h7-10,16H,4-6,11-15,20H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine?
2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 288.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 63466831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).