N-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine

C18H28N2 — CID 115463621

IUPACN-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESCCCN(Cc1ccccc1CCNC1CC1)C1CC1
InChIInChI=1S/C18H28N2/c1-2-13-20(18-9-10-18)14-16-6-4-3-5-15(16)11-12-19-17-7-8-17/h3-6,17-19H,2,7-14H2,1H3
InChIKeyGZJKFOPVVZLUSO-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.36
Rot. Bonds9

About N-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine

N-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine (PubChem CID 115463621) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine
PubChem CID115463621
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESCCCN(Cc1ccccc1CCNC1CC1)C1CC1
InChIInChI=1S/C18H28N2/c1-2-13-20(18-9-10-18)14-16-6-4-3-5-15(16)11-12-19-17-7-8-17/h3-6,17-19H,2,7-14H2,1H3
InChIKeyGZJKFOPVVZLUSO-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115463581
N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115463758
N-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 113314751
N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115464133
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 115463916
N-[2-[2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115464120
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
CID 65054443
N-[[4-[[cyclopropyl(propyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62421982
N,N'-dicyclopropyl-N'-propylpentane-1,5-diamine
CID 62420672
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362
N-[(2-hydrazinyl-3-pyridinyl)methyl]-N-propylcyclopropanamine
CID 62470498

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine (CID 115463621) is N-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine is CCCN(Cc1ccccc1CCNC1CC1)C1CC1.
What is the InChIKey of N-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is GZJKFOPVVZLUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-13-20(18-9-10-18)14-16-6-4-3-5-15(16)11-12-19-17-7-8-17/h3-6,17-19H,2,7-14H2,1H3.
What are the key properties of N-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
N-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 272.44 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 115463621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).