N'-[[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]methyl]-N-methyl-1-phenylethane-1,2-diamine

C23H31N3 — CID 144605436

IUPACN'-[[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]methyl]-N-methyl-1-phenylethane-1,2-diamine
SMILESCNC(CNCc1ccc(C2CC2NCC2CC2)cc1)c1ccccc1
InChIInChI=1S/C23H31N3/c1-24-23(20-5-3-2-4-6-20)16-25-14-17-9-11-19(12-10-17)21-13-22(21)26-15-18-7-8-18/h2-6,9-12,18,21-26H,7-8,13-16H2,1H3
InChIKeyCCSAVAWSUIECHA-UHFFFAOYSA-N
MW349.52 g/mol
LogP3.59
Rot. Bonds10

About N'-[[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]methyl]-N-methyl-1-phenylethane-1,2-diamine

N'-[[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]methyl]-N-methyl-1-phenylethane-1,2-diamine (PubChem CID 144605436) has the molecular formula C23H31N3 and a molecular weight of 349.52 g/mol. Its IUPAC name is N'-[[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]methyl]-N-methyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]methyl]-N-methyl-1-phenylethane-1,2-diamine
PubChem CID144605436
Molecular FormulaC23H31N3
Molecular Weight349.52 g/mol
Exact Mass349.25
IUPAC NameN'-[[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]methyl]-N-methyl-1-phenylethane-1,2-diamine
SMILESCNC(CNCc1ccc(C2CC2NCC2CC2)cc1)c1ccccc1
InChIInChI=1S/C23H31N3/c1-24-23(20-5-3-2-4-6-20)16-25-14-17-9-11-19(12-10-17)21-13-22(21)26-15-18-7-8-18/h2-6,9-12,18,21-26H,7-8,13-16H2,1H3
InChIKeyCCSAVAWSUIECHA-UHFFFAOYSA-N
XLogP3.59
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide
CID 174857997
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone
CID 159581061
2-N-methyl-1-N-(2-phenylcyclopropyl)propane-1,2-diamine
CID 62632238
2-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]isoindole-1,3-dione;hydrochloride
CID 86729921
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 118304795
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine
CID 78097230
(1S)-N-[(3-bromo-2,3-dihydrothiophen-2-yl)methyl]-2-phenylcyclopropan-1-amine
CID 89045970
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 78097199
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone
CID 160904336

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]methyl]-N-methyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-[[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]methyl]-N-methyl-1-phenylethane-1,2-diamine (CID 144605436) is N'-[[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]methyl]-N-methyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-[[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]methyl]-N-methyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-[[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]methyl]-N-methyl-1-phenylethane-1,2-diamine is CNC(CNCc1ccc(C2CC2NCC2CC2)cc1)c1ccccc1.
What is the InChIKey of N'-[[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]methyl]-N-methyl-1-phenylethane-1,2-diamine?
The InChIKey is CCSAVAWSUIECHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3/c1-24-23(20-5-3-2-4-6-20)16-25-14-17-9-11-19(12-10-17)21-13-22(21)26-15-18-7-8-18/h2-6,9-12,18,21-26H,7-8,13-16H2,1H3.
What are the key properties of N'-[[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]methyl]-N-methyl-1-phenylethane-1,2-diamine?
N'-[[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]methyl]-N-methyl-1-phenylethane-1,2-diamine has a molecular weight of 349.52 g/mol, XLogP of 3.59, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]methyl]-N-methyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 144605436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).