2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine

C11H17N3 — CID 22662370

IUPAC2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine
SMILESNc1ccc(N)c(CNCC2CC2)c1
InChIInChI=1S/C11H17N3/c12-10-3-4-11(13)9(5-10)7-14-6-8-1-2-8/h3-5,8,14H,1-2,6-7,12-13H2
InChIKeyIKFLZNOGLFPGAV-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.35
Rot. Bonds4

About 2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine

2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine (PubChem CID 22662370) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine
PubChem CID22662370
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine
SMILESNc1ccc(N)c(CNCC2CC2)c1
InChIInChI=1S/C11H17N3/c12-10-3-4-11(13)9(5-10)7-14-6-8-1-2-8/h3-5,8,14H,1-2,6-7,12-13H2
InChIKeyIKFLZNOGLFPGAV-UHFFFAOYSA-N
XLogP1.35
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(cyclopropylmethylamino)methyl]naphthalen-2-amine
CID 61213693
4-[(cyclopropylmethylamino)methyl]-2-methylaniline
CID 61150758
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
CID 115413842
2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline
CID 115414217
4-[(cyclohexylmethylamino)methyl]aniline
CID 68506062
3-fluoro-4-[(oxolan-3-ylmethylamino)methyl]aniline
CID 107796628
N-[(2,5-diaminophenyl)methyl]acetamide;dihydrochloride
CID 18415482
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline
CID 66417480
4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213416
4-[(oxolan-2-ylmethylamino)methyl]benzene-1,3-diamine;hydrochloride
CID 22328123
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
CID 43364189

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine?
The IUPAC name of 2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine (CID 22662370) is 2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine is Nc1ccc(N)c(CNCC2CC2)c1.
What is the InChIKey of 2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine?
The InChIKey is IKFLZNOGLFPGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-10-3-4-11(13)9(5-10)7-14-6-8-1-2-8/h3-5,8,14H,1-2,6-7,12-13H2.
What are the key properties of 2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine?
2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine has a molecular weight of 191.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine is sourced from PubChem (CID 22662370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).