N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine

C17H29N3 — CID 65071440

IUPACN,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine
SMILESCN1CCCC(NCC(c2ccccc2)N(C)C)CC1
InChIInChI=1S/C17H29N3/c1-19(2)17(15-8-5-4-6-9-15)14-18-16-10-7-12-20(3)13-11-16/h4-6,8-9,16-18H,7,10-14H2,1-3H3
InChIKeyRWQZACIQPPRCGH-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.36
Rot. Bonds5

About N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine

N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine (PubChem CID 65071440) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine
PubChem CID65071440
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine
SMILESCN1CCCC(NCC(c2ccccc2)N(C)C)CC1
InChIInChI=1S/C17H29N3/c1-19(2)17(15-8-5-4-6-9-15)14-18-16-10-7-12-20(3)13-11-16/h4-6,8-9,16-18H,7,10-14H2,1-3H3
InChIKeyRWQZACIQPPRCGH-UHFFFAOYSA-N
XLogP2.36
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 65071295
N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine
CID 63274243
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
N-[(2S)-2-hydrazinyl-2-phenylethyl]-1-methylpiperidin-4-amine
CID 126609529
N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43081728
N,N'-dimethyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 55084951
N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 143114177
1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol
CID 111755497
N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177820
1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 60910129
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 63274242
N-(2-phenylbutyl)cyclopentanamine
CID 60664890

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine (CID 65071440) is N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine is CN1CCCC(NCC(c2ccccc2)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine?
The InChIKey is RWQZACIQPPRCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-19(2)17(15-8-5-4-6-9-15)14-18-16-10-7-12-20(3)13-11-16/h4-6,8-9,16-18H,7,10-14H2,1-3H3.
What are the key properties of N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine?
N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 65071440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).