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

C18H30N2 — CID 115463758

IUPACN-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESCCCC(C)N(C)Cc1ccccc1CCNC1CC1
InChIInChI=1S/C18H30N2/c1-4-7-15(2)20(3)14-17-9-6-5-8-16(17)12-13-19-18-10-11-18/h5-6,8-9,15,18-19H,4,7,10-14H2,1-3H3
InChIKeyQJZFSQXMQCUDCA-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.60
Rot. Bonds9

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

N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine (PubChem CID 115463758) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
PubChem CID115463758
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESCCCC(C)N(C)Cc1ccccc1CCNC1CC1
InChIInChI=1S/C18H30N2/c1-4-7-15(2)20(3)14-17-9-6-5-8-16(17)12-13-19-18-10-11-18/h5-6,8-9,15,18-19H,4,7,10-14H2,1-3H3
InChIKeyQJZFSQXMQCUDCA-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

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Related Compounds

N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine
CID 115463756
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-2-amine
CID 115463757
N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115463581
1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 62463301
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-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115464120
N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine
CID 62434377
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 62411722
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 115463579
1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 62420794
1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine
CID 62432306

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine (CID 115463758) is N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine is CCCC(C)N(C)Cc1ccccc1CCNC1CC1.
What is the InChIKey of N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is QJZFSQXMQCUDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-7-15(2)20(3)14-17-9-6-5-8-16(17)12-13-19-18-10-11-18/h5-6,8-9,15,18-19H,4,7,10-14H2,1-3H3.
What are the key properties of N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine?
N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 274.45 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 115463758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).