N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine

C18H30N2 — CID 63939310

IUPACN-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCCN(Cc1ccc(CNCC(C)C)cc1)CC1CC1
InChIInChI=1S/C18H30N2/c1-4-20(14-18-9-10-18)13-17-7-5-16(6-8-17)12-19-11-15(2)3/h5-8,15,18-19H,4,9-14H2,1-3H3
InChIKeyZCBNKVIGAFUFOE-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.66
Rot. Bonds9

About N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine

N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63939310) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63939310
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCCN(Cc1ccc(CNCC(C)C)cc1)CC1CC1
InChIInChI=1S/C18H30N2/c1-4-20(14-18-9-10-18)13-17-7-5-16(6-8-17)12-19-11-15(2)3/h5-8,15,18-19H,4,9-14H2,1-3H3
InChIKeyZCBNKVIGAFUFOE-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62431123
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63939704
2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105347782
N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline
CID 64520020
N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63939305
N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine
CID 62412689
N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63630568
N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine
CID 63939316
1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine
CID 115707907
4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile
CID 63957000
N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine
CID 62070861
N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (CID 63939310) is N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is CCN(Cc1ccc(CNCC(C)C)cc1)CC1CC1.
What is the InChIKey of N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZCBNKVIGAFUFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-20(14-18-9-10-18)13-17-7-5-16(6-8-17)12-19-11-15(2)3/h5-8,15,18-19H,4,9-14H2,1-3H3.
What are the key properties of N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63939310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).