N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine

C19H34N2 — CID 28550265

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine
SMILESCCCC(CCC)NCc1ccc(CN(CC)CC)cc1
InChIInChI=1S/C19H34N2/c1-5-9-19(10-6-2)20-15-17-11-13-18(14-12-17)16-21(7-3)8-4/h11-14,19-20H,5-10,15-16H2,1-4H3
InChIKeyCGBIEPFOKUFYON-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.59
Rot. Bonds11

About N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine

N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine (PubChem CID 28550265) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine
PubChem CID28550265
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine
SMILESCCCC(CCC)NCc1ccc(CN(CC)CC)cc1
InChIInChI=1S/C19H34N2/c1-5-9-19(10-6-2)20-15-17-11-13-18(14-12-17)16-21(7-3)8-4/h11-14,19-20H,5-10,15-16H2,1-4H3
InChIKeyCGBIEPFOKUFYON-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine
CID 43770019
N-[(4-methylphenyl)methyl]hexan-3-amine
CID 62117408
N-[(4-fluorophenyl)methyl]octan-4-amine
CID 114138071
N-[(4-chlorophenyl)methyl]hexan-3-amine
CID 62118720
N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 55070316
N-[(4-fluorophenyl)methyl]hexan-3-amine
CID 62118907
1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine
CID 115707907
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62426089
N'-ethyl-N,N-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 102997517
N-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine
CID 60697149
N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 170239440
N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine
CID 43608548

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine (CID 28550265) is N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine is CCCC(CCC)NCc1ccc(CN(CC)CC)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine?
The InChIKey is CGBIEPFOKUFYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-5-9-19(10-6-2)20-15-17-11-13-18(14-12-17)16-21(7-3)8-4/h11-14,19-20H,5-10,15-16H2,1-4H3.
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine?
N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine has a molecular weight of 290.50 g/mol, XLogP of 4.59, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine is sourced from PubChem (CID 28550265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).