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

C18H28N2 — CID 115464120

IUPACN-[2-[2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESCC1CC1CN(C)Cc1ccccc1CCNC1CC1
InChIInChI=1S/C18H28N2/c1-14-11-17(14)13-20(2)12-16-6-4-3-5-15(16)9-10-19-18-7-8-18/h3-6,14,17-19H,7-13H2,1-2H3
InChIKeySSILAYTYSYXDAC-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.07
Rot. Bonds8

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

N-[2-[2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]cyclopropanamine (PubChem CID 115464120) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[2-[2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]cyclopropanamine
PubChem CID115464120
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[2-[2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESCC1CC1CN(C)Cc1ccccc1CCNC1CC1
InChIInChI=1S/C18H28N2/c1-14-11-17(14)13-20(2)12-16-6-4-3-5-15(16)9-10-19-18-7-8-18/h3-6,14,17-19H,7-13H2,1-2H3
InChIKeySSILAYTYSYXDAC-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.07
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-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115463621
N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115464133
N-[2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]propan-2-amine
CID 115463794
N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62856940
N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine
CID 105347771
N-cyclopropyl-N'-methyl-N'-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55002950
N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 115464536
N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63865722
N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
CID 115464114
2-fluoro-3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]benzenecarbothioamide
CID 107115599

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]cyclopropanamine (CID 115464120) is N-[2-[2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]cyclopropanamine is CC1CC1CN(C)Cc1ccccc1CCNC1CC1.
What is the InChIKey of N-[2-[2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is SSILAYTYSYXDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-11-17(14)13-20(2)12-16-6-4-3-5-15(16)9-10-19-18-7-8-18/h3-6,14,17-19H,7-13H2,1-2H3.
What are the key properties of N-[2-[2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]cyclopropanamine?
N-[2-[2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 272.44 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 115464120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).