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

C18H30N2 — CID 115464133

IUPACN-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESCCC(C)(C)N(C)Cc1ccccc1CCNC1CC1
InChIInChI=1S/C18H30N2/c1-5-18(2,3)20(4)14-16-9-7-6-8-15(16)12-13-19-17-10-11-17/h6-9,17,19H,5,10-14H2,1-4H3
InChIKeySGUIANWUSAXINL-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.60
Rot. Bonds8

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

N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine (PubChem CID 115464133) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
PubChem CID115464133
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESCCC(C)(C)N(C)Cc1ccccc1CCNC1CC1
InChIInChI=1S/C18H30N2/c1-5-18(2,3)20(4)14-16-9-7-6-8-15(16)12-13-19-17-10-11-17/h6-9,17,19H,5,10-14H2,1-4H3
InChIKeySGUIANWUSAXINL-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115464120
4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 78911515
N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63965008
N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63982071
N-[[2-[[methyl(2-methylbutan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 63967417
4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 783786
N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine
CID 63964134
N-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine
CID 106667907
N-cyclohexyl-N'-methyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63966132

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine (CID 115464133) is N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine is CCC(C)(C)N(C)Cc1ccccc1CCNC1CC1.
What is the InChIKey of N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is SGUIANWUSAXINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-18(2,3)20(4)14-16-9-7-6-8-15(16)12-13-19-17-10-11-17/h6-9,17,19H,5,10-14H2,1-4H3.
What are the key properties of N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine?
N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 274.45 g/mol, XLogP of 3.60, 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-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 115464133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).