N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine

C18H30N2 — CID 105346894

IUPACN-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine
SMILESCCCNCC(C)c1ccc(CN(CC)C2CC2)cc1
InChIInChI=1S/C18H30N2/c1-4-12-19-13-15(3)17-8-6-16(7-9-17)14-20(5-2)18-10-11-18/h6-9,15,18-19H,4-5,10-14H2,1-3H3
InChIKeyIRORQIVPOZCVOT-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.77
Rot. Bonds9

About N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine

N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine (PubChem CID 105346894) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine
PubChem CID105346894
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine
SMILESCCCNCC(C)c1ccc(CN(CC)C2CC2)cc1
InChIInChI=1S/C18H30N2/c1-4-12-19-13-15(3)17-8-6-16(7-9-17)14-20(5-2)18-10-11-18/h6-9,15,18-19H,4-5,10-14H2,1-3H3
InChIKeyIRORQIVPOZCVOT-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-propylcyclopropanamine
CID 105346839
N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine
CID 105347096
N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 105347323
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346884
2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349891
2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine
CID 105348147
2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide
CID 105351675
2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine
CID 102608263
N-ethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346888
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine
CID 105347297
N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421837
N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105347856

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine (CID 105346894) is N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine is CCCNCC(C)c1ccc(CN(CC)C2CC2)cc1.
What is the InChIKey of N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine?
The InChIKey is IRORQIVPOZCVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-12-19-13-15(3)17-8-6-16(7-9-17)14-20(5-2)18-10-11-18/h6-9,15,18-19H,4-5,10-14H2,1-3H3.
What are the key properties of N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine?
N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine has a molecular weight of 274.45 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 105346894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).