N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine

C18H30N2 — CID 105347771

IUPACN-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(CN(C)CC2CC2C)cc1
InChIInChI=1S/C18H30N2/c1-4-10-19-11-9-16-5-7-17(8-6-16)13-20(3)14-18-12-15(18)2/h5-8,15,18-19H,4,9-14H2,1-3H3
InChIKeyGEDJIJPBFSNMRK-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.32
Rot. Bonds9

About N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine

N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine (PubChem CID 105347771) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine
PubChem CID105347771
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(CN(C)CC2CC2C)cc1
InChIInChI=1S/C18H30N2/c1-4-10-19-11-9-16-5-7-17(8-6-16)13-20(3)14-18-12-15(18)2/h5-8,15,18-19H,4,9-14H2,1-3H3
InChIKeyGEDJIJPBFSNMRK-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
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-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 105347558
2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine
CID 105347717
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63866570
N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105347856
3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine
CID 105347627
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
2-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline
CID 63860369
N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105347945
N,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine
CID 105347795
2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63483230
N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine
CID 105347684

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine (CID 105347771) is N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine is CCCNCCc1ccc(CN(C)CC2CC2C)cc1.
What is the InChIKey of N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine?
The InChIKey is GEDJIJPBFSNMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-10-19-11-9-16-5-7-17(8-6-16)13-20(3)14-18-12-15(18)2/h5-8,15,18-19H,4,9-14H2,1-3H3.
What are the key properties of N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine?
N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 105347771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).