1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine

C16H26N2 — CID 43265604

IUPAC1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCN(C(C)C)C1(CN)CCCc2ccccc21
InChIInChI=1S/C16H26N2/c1-4-18(13(2)3)16(12-17)11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10,13H,4,7,9,11-12,17H2,1-3H3
InChIKeyIGLYQMKOGYJTRF-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.91
Rot. Bonds4

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

1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 43265604) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID43265604
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCN(C(C)C)C1(CN)CCCc2ccccc21
InChIInChI=1S/C16H26N2/c1-4-18(13(2)3)16(12-17)11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10,13H,4,7,9,11-12,17H2,1-3H3
InChIKeyIGLYQMKOGYJTRF-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tametraline Hydrochloride
CID 104180
1-Naphthylamine, 1,2,3,4-tetrahydro-N-methyl-4-phenyl-, hydrochloride, (Z)-
CID 3034724
Tametraline
CID 163308
1-(1-Phenyl-2-o-tolylethyl)piperazine
CID 44414708
1-(2-(2-Ethylphenyl)-1-phenylethyl)piperazine
CID 44414709
1-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazine
CID 2735936
N,N'-Bis(1-phenylethyl)diaminoethane
CID 22679
N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 46475
Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amine
CID 44578367
(S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
CID 44592195
N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
CID 10330900
(1-Allyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine
CID 10398940

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine (CID 43265604) is 1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine is CCN(C(C)C)C1(CN)CCCc2ccccc21.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is IGLYQMKOGYJTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-18(13(2)3)16(12-17)11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10,13H,4,7,9,11-12,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine?
1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 43265604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).