N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine

C17H28N2 — CID 105347297

IUPACN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine
SMILESCCCCN(Cc1ccc(C(C)CN)cc1)C1CC1
InChIInChI=1S/C17H28N2/c1-3-4-11-19(17-9-10-17)13-15-5-7-16(8-6-15)14(2)12-18/h5-8,14,17H,3-4,9-13,18H2,1-2H3
InChIKeyZIRDYVGUCQJVTI-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.51
Rot. Bonds8

About N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine

N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine (PubChem CID 105347297) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine.

Molecular Properties

Compound NameN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine
PubChem CID105347297
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine
SMILESCCCCN(Cc1ccc(C(C)CN)cc1)C1CC1
InChIInChI=1S/C17H28N2/c1-3-4-11-19(17-9-10-17)13-15-5-7-16(8-6-15)14(2)12-18/h5-8,14,17H,3-4,9-13,18H2,1-2H3
InChIKeyZIRDYVGUCQJVTI-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine
CID 65478565
N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine
CID 105346839
N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
CID 62429494
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine
CID 105346608
5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline
CID 61440983
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 105347432
N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 61441578
2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine
CID 105347161
5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine
CID 62183710
N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine
CID 105346894
N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine
CID 61440470
N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
CID 59862645

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine?
The IUPAC name of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine (CID 105347297) is N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine.
What is the SMILES notation for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine?
The canonical SMILES for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine is CCCCN(Cc1ccc(C(C)CN)cc1)C1CC1.
What is the InChIKey of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine?
The InChIKey is ZIRDYVGUCQJVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-4-11-19(17-9-10-17)13-15-5-7-16(8-6-15)14(2)12-18/h5-8,14,17H,3-4,9-13,18H2,1-2H3.
What are the key properties of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine?
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine has a molecular weight of 260.43 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine is sourced from PubChem (CID 105347297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).