2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine

C18H25N3 — CID 43209319

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine
SMILESCN1CCCN(C(CN)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H25N3/c1-20-9-4-10-21(12-11-20)18(14-19)17-8-7-15-5-2-3-6-16(15)13-17/h2-3,5-8,13,18H,4,9-12,14,19H2,1H3
InChIKeyHNNIGIOBOVHOAQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.48
Rot. Bonds3

About 2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine

2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine (PubChem CID 43209319) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine
PubChem CID43209319
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine
SMILESCN1CCCN(C(CN)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H25N3/c1-20-9-4-10-21(12-11-20)18(14-19)17-8-7-15-5-2-3-6-16(15)13-17/h2-3,5-8,13,18H,4,9-12,14,19H2,1H3
InChIKeyHNNIGIOBOVHOAQ-UHFFFAOYSA-N
XLogP2.48
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine
CID 63968294
2-(4-methyl-1,4-diazepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine
CID 61210753
2-(4-methyl-1,4-diazepan-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 43131514
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 16641482
2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 62392810
2-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-2-ylethanamine
CID 16782210
2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 16792620
2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 65021681
2-pyrrolidin-1-yl-2-quinolin-3-ylethanamine
CID 67140262
2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43209293
2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine
CID 104504037
3-(4-methyl-1,4-diazepan-1-yl)-3-phenylpropanethioamide
CID 62778289

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine (CID 43209319) is 2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine is CN1CCCN(C(CN)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine?
The InChIKey is HNNIGIOBOVHOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-20-9-4-10-21(12-11-20)18(14-19)17-8-7-15-5-2-3-6-16(15)13-17/h2-3,5-8,13,18H,4,9-12,14,19H2,1H3.
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine?
2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine has a molecular weight of 283.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine is sourced from PubChem (CID 43209319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).