N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine

C17H28N2 — CID 105346839

IUPACN-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1ccc(C(C)CNC)cc1)C1CC1
InChIInChI=1S/C17H28N2/c1-4-11-19(17-9-10-17)13-15-5-7-16(8-6-15)14(2)12-18-3/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyZXGOTHANOBFVAK-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds8

About N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine

N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine (PubChem CID 105346839) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine
PubChem CID105346839
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1ccc(C(C)CNC)cc1)C1CC1
InChIInChI=1S/C17H28N2/c1-4-11-19(17-9-10-17)13-15-5-7-16(8-6-15)14(2)12-18-3/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyZXGOTHANOBFVAK-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 105347323
N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine
CID 105346894
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine
CID 105347297
2-[4-[[ethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346793
N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
CID 62429494
4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79113027
4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline
CID 43270531
N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62435763
2-[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]-N-ethylpropan-1-amine
CID 105347314
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362
2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine
CID 105348988
N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline
CID 105346501

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine?
The IUPAC name of N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine (CID 105346839) is N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine is CCCN(Cc1ccc(C(C)CNC)cc1)C1CC1.
What is the InChIKey of N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine?
The InChIKey is ZXGOTHANOBFVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-11-19(17-9-10-17)13-15-5-7-16(8-6-15)14(2)12-18-3/h5-8,14,17-18H,4,9-13H2,1-3H3.
What are the key properties of N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine?
N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine is sourced from PubChem (CID 105346839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).