N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine

C18H30N2 — CID 105346741

IUPACN-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine
SMILESCCC(C)N(C)Cc1ccc(C(C)CNC2CC2)cc1
InChIInChI=1S/C18H30N2/c1-5-15(3)20(4)13-16-6-8-17(9-7-16)14(2)12-19-18-10-11-18/h6-9,14-15,18-19H,5,10-13H2,1-4H3
InChIKeyKRRSCPXTFBJACX-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.77
Rot. Bonds8

About N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine

N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine (PubChem CID 105346741) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine
PubChem CID105346741
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine
SMILESCCC(C)N(C)Cc1ccc(C(C)CNC2CC2)cc1
InChIInChI=1S/C18H30N2/c1-5-15(3)20(4)13-16-6-8-17(9-7-16)14(2)12-19-18-10-11-18/h6-9,14-15,18-19H,5,10-13H2,1-4H3
InChIKeyKRRSCPXTFBJACX-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]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-[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346925
N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346750
N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347466
N-[2-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347393
N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine
CID 105349962
1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62558539
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
CID 102987150
N-[[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62463721
N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine
CID 105348984
N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
CID 82262237
N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine
CID 103285688

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine?
The IUPAC name of N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine (CID 105346741) is N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine is CCC(C)N(C)Cc1ccc(C(C)CNC2CC2)cc1.
What is the InChIKey of N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine?
The InChIKey is KRRSCPXTFBJACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-15(3)20(4)13-16-6-8-17(9-7-16)14(2)12-19-18-10-11-18/h6-9,14-15,18-19H,5,10-13H2,1-4H3.
What are the key properties of N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine?
N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine has a molecular weight of 274.45 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine is sourced from PubChem (CID 105346741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).