1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine

C14H22N2 — CID 80561789

IUPAC1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine
SMILESCCc1ccc(CN(C)C2CC(N)C2)cc1
InChIInChI=1S/C14H22N2/c1-3-11-4-6-12(7-5-11)10-16(2)14-8-13(15)9-14/h4-7,13-14H,3,8-10,15H2,1-2H3
InChIKeyWBMHKUFHDKCUGF-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.17
Rot. Bonds4

About 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine

1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine (PubChem CID 80561789) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine
PubChem CID80561789
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine
SMILESCCc1ccc(CN(C)C2CC(N)C2)cc1
InChIInChI=1S/C14H22N2/c1-3-11-4-6-12(7-5-11)10-16(2)14-8-13(15)9-14/h4-7,13-14H,3,8-10,15H2,1-2H3
InChIKeyWBMHKUFHDKCUGF-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79468037
4-amino-1-[4-[[[(3S,5R)-3,5-diaminocyclohexyl]-methylamino]methyl]phenyl]pyrimidin-2-one
CID 168747831
ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine
CID 143652476
1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine
CID 127015558
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 84584678
1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine
CID 80561805
4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
CID 43587265
4-N-[(6-chloro-3-pyridinyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121749
3-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 64506247
4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 55135728
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetamide
CID 56812522
(3aR,6aS)-5-[(4-tert-butylphenyl)methyl-methylamino]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol
CID 134712968

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine?
The IUPAC name of 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine (CID 80561789) is 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine is CCc1ccc(CN(C)C2CC(N)C2)cc1.
What is the InChIKey of 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine?
The InChIKey is WBMHKUFHDKCUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-11-4-6-12(7-5-11)10-16(2)14-8-13(15)9-14/h4-7,13-14H,3,8-10,15H2,1-2H3.
What are the key properties of 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine?
1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine is sourced from PubChem (CID 80561789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).