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

C16H26N2 — CID 115463581

IUPACN-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESCCCN(C)Cc1ccccc1CCNC1CC1
InChIInChI=1S/C16H26N2/c1-3-12-18(2)13-15-7-5-4-6-14(15)10-11-17-16-8-9-16/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeySRZLBPLMMBMXRA-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.82
Rot. Bonds8

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

N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine (PubChem CID 115463581) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine
PubChem CID115463581
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESCCCN(C)Cc1ccccc1CCNC1CC1
InChIInChI=1S/C16H26N2/c1-3-12-18(2)13-15-7-5-4-6-14(15)10-11-17-16-8-9-16/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeySRZLBPLMMBMXRA-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115463758
N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115464133
N-cyclopropyl-N'-methyl-N'-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55002950
2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463583
N'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine
CID 62437312
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
CID 115463670
N-[[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 79490840
N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115207157
N'-benzyl-N'-methyl-N-(4-methylcyclohexyl)propane-1,3-diamine
CID 29287205
N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine
CID 62417579

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine (CID 115463581) is N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine is CCCN(C)Cc1ccccc1CCNC1CC1.
What is the InChIKey of N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is SRZLBPLMMBMXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-12-18(2)13-15-7-5-4-6-14(15)10-11-17-16-8-9-16/h4-7,16-17H,3,8-13H2,1-2H3.
What are the key properties of N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 246.40 g/mol, XLogP of 2.82, 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(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 115463581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).