N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine

C16H26N2 — CID 105346884

IUPACN-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
SMILESCCNCCc1ccc(CN(CC)C2CC2)cc1
InChIInChI=1S/C16H26N2/c1-3-17-12-11-14-5-7-15(8-6-14)13-18(4-2)16-9-10-16/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyRNAMYMHZHRQYTQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.82
Rot. Bonds8

About N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine

N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine (PubChem CID 105346884) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
PubChem CID105346884
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
SMILESCCNCCc1ccc(CN(CC)C2CC2)cc1
InChIInChI=1S/C16H26N2/c1-3-17-12-11-14-5-7-15(8-6-14)13-18(4-2)16-9-10-16/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyRNAMYMHZHRQYTQ-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

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346888
N-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 113314751
N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105347856
N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421837
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 105347488
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine
CID 105346911
2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine
CID 105347717
N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine
CID 105346894
2-(4-cyclopropylphenyl)-N-ethylethanamine
CID 79978257
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 105347185
[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]methanol
CID 110008184
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine (CID 105346884) is N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine is CCNCCc1ccc(CN(CC)C2CC2)cc1.
What is the InChIKey of N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine?
The InChIKey is RNAMYMHZHRQYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-17-12-11-14-5-7-15(8-6-14)13-18(4-2)16-9-10-16/h5-8,16-17H,3-4,9-13H2,1-2H3.
What are the key properties of N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine?
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]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-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 105346884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).