1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine

C18H28N2O — CID 115418640

IUPAC1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC1CCC(CN)(N(C)CC2CCCO2)c2ccccc21
InChIInChI=1S/C18H28N2O/c1-14-9-10-18(13-19,17-8-4-3-7-16(14)17)20(2)12-15-6-5-11-21-15/h3-4,7-8,14-15H,5-6,9-13,19H2,1-2H3
InChIKeyIEIQZVUJUDUXQQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.85
Rot. Bonds4

About 1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine

1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 115418640) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID115418640
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC1CCC(CN)(N(C)CC2CCCO2)c2ccccc21
InChIInChI=1S/C18H28N2O/c1-14-9-10-18(13-19,17-8-4-3-7-16(14)17)20(2)12-15-6-5-11-21-15/h3-4,7-8,14-15H,5-6,9-13,19H2,1-2H3
InChIKeyIEIQZVUJUDUXQQ-UHFFFAOYSA-N
XLogP2.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-cyclohexyl-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115418589
2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418947
2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid
CID 115420429
8-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)spiro[4.5]decan-8-amine
CID 114818074
2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63787027
3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine
CID 61431445
2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine
CID 61431053
4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine
CID 54983122
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115420935
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81297954
1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 61431336

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine (CID 115418640) is 1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine is CC1CCC(CN)(N(C)CC2CCCO2)c2ccccc21.
What is the InChIKey of 1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is IEIQZVUJUDUXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-9-10-18(13-19,17-8-4-3-7-16(14)17)20(2)12-15-6-5-11-21-15/h3-4,7-8,14-15H,5-6,9-13,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine?
1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 288.44 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 115418640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).