N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine

C17H28N2 — CID 62412689

IUPACN-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine
SMILESCCNCc1ccc(CN(CC2CC2)C(C)C)cc1
InChIInChI=1S/C17H28N2/c1-4-18-11-15-5-7-16(8-6-15)12-19(14(2)3)13-17-9-10-17/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyQOSFYPZSUVOIJW-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.42
Rot. Bonds8

About N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine

N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine (PubChem CID 62412689) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine
PubChem CID62412689
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine
SMILESCCNCc1ccc(CN(CC2CC2)C(C)C)cc1
InChIInChI=1S/C17H28N2/c1-4-18-11-15-5-7-16(8-6-15)12-19(14(2)3)13-17-9-10-17/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyQOSFYPZSUVOIJW-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62426751
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462519
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62413210
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 54999768
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63939310
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79490766
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline
CID 61445151
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62413208
N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62431123
N'-(cyclopropylmethyl)-N-ethyl-1-(4-ethylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 63468895
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-ethylpyridin-2-amine
CID 62464510
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107453586

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine (CID 62412689) is N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine is CCNCc1ccc(CN(CC2CC2)C(C)C)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine?
The InChIKey is QOSFYPZSUVOIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-18-11-15-5-7-16(8-6-15)12-19(14(2)3)13-17-9-10-17/h5-8,14,17-18H,4,9-13H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine?
N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62412689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).