N-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine

C19H31N3 — CID 118042391

IUPACN-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine
SMILESCN1CCN([C@H]2CCC(CN(C)Cc3ccccc3)C2)CC1
InChIInChI=1S/C19H31N3/c1-20-10-12-22(13-11-20)19-9-8-18(14-19)16-21(2)15-17-6-4-3-5-7-17/h3-7,18-19H,8-16H2,1-2H3/t18?,19-/m0/s1
InChIKeyICYDGHOKWPYNLK-GGYWPGCISA-N
MW301.48 g/mol
LogP2.53
Rot. Bonds5

About N-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine

N-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine (PubChem CID 118042391) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine
PubChem CID118042391
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC NameN-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine
SMILESCN1CCN([C@H]2CCC(CN(C)Cc3ccccc3)C2)CC1
InChIInChI=1S/C19H31N3/c1-20-10-12-22(13-11-20)19-9-8-18(14-19)16-21(2)15-17-6-4-3-5-7-17/h3-7,18-19H,8-16H2,1-2H3/t18?,19-/m0/s1
InChIKeyICYDGHOKWPYNLK-GGYWPGCISA-N
XLogP2.53
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol
CID 83980394
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554158
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554122
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 55174994
2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554163
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
(2S)-2-amino-1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875257
(2S)-1-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 97274554
(2R)-1-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 97274555
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-2-chloroethanone
CID 66567053

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine?
The IUPAC name of N-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine (CID 118042391) is N-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine.
What is the SMILES notation for N-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine?
The canonical SMILES for N-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine is CN1CCN([C@H]2CCC(CN(C)Cc3ccccc3)C2)CC1.
What is the InChIKey of N-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine?
The InChIKey is ICYDGHOKWPYNLK-GGYWPGCISA-N. The full InChI is InChI=1S/C19H31N3/c1-20-10-12-22(13-11-20)19-9-8-18(14-19)16-21(2)15-17-6-4-3-5-7-17/h3-7,18-19H,8-16H2,1-2H3/t18?,19-/m0/s1.
What are the key properties of N-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine?
N-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine has a molecular weight of 301.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine is sourced from PubChem (CID 118042391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).