CID 101396713

C10H14N3 — CID 101396713

IUPAC—
SMILESCCCN(Cc1ccccc1)N=[N]
InChIInChI=1S/C10H14N3/c1-2-8-13(12-11)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyPVOKBQOORPUXNF-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.07
Rot. Bonds5

About CID 101396713

CID 101396713 (PubChem CID 101396713) has the molecular formula C10H14N3 and a molecular weight of 176.24 g/mol.

Molecular Properties

Compound NameCID 101396713
PubChem CID101396713
Molecular FormulaC10H14N3
Molecular Weight176.24 g/mol
Exact Mass176.12
IUPAC Name—
SMILESCCCN(Cc1ccccc1)N=[N]
InChIInChI=1S/C10H14N3/c1-2-8-13(12-11)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyPVOKBQOORPUXNF-UHFFFAOYSA-N
XLogP2.07
TPSA37.90 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dibenzylpropan-1-amine
CID 10840212
N-benzyl-N-[(4-methylphenyl)diazenyl]propan-1-amine
CID 134985554
N-benzyl-N-propylaniline
CID 14671265
N-benzyl-N-hexylnitrous amide
CID 172967726
N-benzyl-N-(methoxymethyl)propan-1-amine
CID 90983787
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N-benzyl-N,1-dipropylcyclopropan-1-amine
CID 90378697
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
N-benzyl-N-propylhexan-1-amine
CID 123983090
[propyl(sulfino)amino]methylbenzene
CID 57043220
benzyl(propyl)carbamodithioic acid
CID 154265529
N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine
CID 141125975

Frequently Asked Questions

What is the IUPAC name of CID 101396713?
The IUPAC name of CID 101396713 (CID 101396713) is not available.
What is the SMILES notation for CID 101396713?
The canonical SMILES for CID 101396713 is CCCN(Cc1ccccc1)N=[N].
What is the InChIKey of CID 101396713?
The InChIKey is PVOKBQOORPUXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N3/c1-2-8-13(12-11)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of CID 101396713?
CID 101396713 has a molecular weight of 176.24 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101396713 is sourced from PubChem (CID 101396713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).