N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine

C13H21N3 — CID 106703541

IUPACN-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
SMILESNc1ccccc1CNCCCNC1CC1
InChIInChI=1S/C13H21N3/c14-13-5-2-1-4-11(13)10-15-8-3-9-16-12-6-7-12/h1-2,4-5,12,15-16H,3,6-10,14H2
InChIKeyXOPLJBPJSFIJKF-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.50
Rot. Bonds7

About N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine

N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine (PubChem CID 106703541) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
PubChem CID106703541
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
SMILESNc1ccccc1CNCCCNC1CC1
InChIInChI=1S/C13H21N3/c14-13-5-2-1-4-11(13)10-15-8-3-9-16-12-6-7-12/h1-2,4-5,12,15-16H,3,6-10,14H2
InChIKeyXOPLJBPJSFIJKF-UHFFFAOYSA-N
XLogP1.50
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631
N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine
CID 113410401
2-[(3-butoxypropylamino)methyl]aniline
CID 83958629
2-[(5,5,5-trifluoropentylamino)methyl]aniline
CID 113327123
2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline
CID 66419053
2-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114543904
2-[(3-methylbutylamino)methyl]aniline
CID 65439123
N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 106703486
N-[3-(2-bromophenyl)propyl]cyclopropanamine
CID 62528627
N-[3-(cyclopropylamino)propyl]-2-phenylacetamide
CID 43596486
2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol
CID 66419653
N'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine
CID 105063403

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine (CID 106703541) is N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine is Nc1ccccc1CNCCCNC1CC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine?
The InChIKey is XOPLJBPJSFIJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-13-5-2-1-4-11(13)10-15-8-3-9-16-12-6-7-12/h1-2,4-5,12,15-16H,3,6-10,14H2.
What are the key properties of N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine?
N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine has a molecular weight of 219.33 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine is sourced from PubChem (CID 106703541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).