1-(5-amino-5-methylazepin-3-yl)-N,N'-dimethylmethanediamine

C10H18N4 — CID 135136377

IUPAC1-(5-amino-5-methylazepin-3-yl)-N,N'-dimethylmethanediamine
SMILESCNC(NC)C1=CC(C)(N)C=CN=C1
InChIInChI=1S/C10H18N4/c1-10(11)4-5-14-7-8(6-10)9(12-2)13-3/h4-7,9,12-13H,11H2,1-3H3
InChIKeyNYCZZWHIAOXTOG-UHFFFAOYSA-N
MW194.28 g/mol
LogP-0.01
Rot. Bonds3

About 1-(5-amino-5-methylazepin-3-yl)-N,N'-dimethylmethanediamine

1-(5-amino-5-methylazepin-3-yl)-N,N'-dimethylmethanediamine (PubChem CID 135136377) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(5-amino-5-methylazepin-3-yl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound Name1-(5-amino-5-methylazepin-3-yl)-N,N'-dimethylmethanediamine
PubChem CID135136377
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-(5-amino-5-methylazepin-3-yl)-N,N'-dimethylmethanediamine
SMILESCNC(NC)C1=CC(C)(N)C=CN=C1
InChIInChI=1S/C10H18N4/c1-10(11)4-5-14-7-8(6-10)9(12-2)13-3/h4-7,9,12-13H,11H2,1-3H3
InChIKeyNYCZZWHIAOXTOG-UHFFFAOYSA-N
XLogP-0.01
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4H-azepin-6-yl)-N-methylmethanamine
CID 123396047
(5-Amino-5-methylazepin-3-yl)methanediamine
CID 135136125

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-5-methylazepin-3-yl)-N,N'-dimethylmethanediamine?
The IUPAC name of 1-(5-amino-5-methylazepin-3-yl)-N,N'-dimethylmethanediamine (CID 135136377) is 1-(5-amino-5-methylazepin-3-yl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for 1-(5-amino-5-methylazepin-3-yl)-N,N'-dimethylmethanediamine?
The canonical SMILES for 1-(5-amino-5-methylazepin-3-yl)-N,N'-dimethylmethanediamine is CNC(NC)C1=CC(C)(N)C=CN=C1.
What is the InChIKey of 1-(5-amino-5-methylazepin-3-yl)-N,N'-dimethylmethanediamine?
The InChIKey is NYCZZWHIAOXTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(11)4-5-14-7-8(6-10)9(12-2)13-3/h4-7,9,12-13H,11H2,1-3H3.
What are the key properties of 1-(5-amino-5-methylazepin-3-yl)-N,N'-dimethylmethanediamine?
1-(5-amino-5-methylazepin-3-yl)-N,N'-dimethylmethanediamine has a molecular weight of 194.28 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-5-methylazepin-3-yl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 135136377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).