(6-amino-2-methylhexan-3-ylidene)cyanamide

C8H15N3 — CID 170199061

IUPAC(6-amino-2-methylhexan-3-ylidene)cyanamide
SMILESCC(C)/C(CCCN)=N/C#N
InChIInChI=1S/C8H15N3/c1-7(2)8(11-6-10)4-3-5-9/h7H,3-5,9H2,1-2H3/b11-8+
InChIKeyREKXCAMVEKBZGO-DHZHZOJOSA-N
MW153.23 g/mol
LogP1.30
Rot. Bonds4

About (6-amino-2-methylhexan-3-ylidene)cyanamide

(6-amino-2-methylhexan-3-ylidene)cyanamide (PubChem CID 170199061) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (6-amino-2-methylhexan-3-ylidene)cyanamide.

Molecular Properties

Compound Name(6-amino-2-methylhexan-3-ylidene)cyanamide
PubChem CID170199061
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(6-amino-2-methylhexan-3-ylidene)cyanamide
SMILESCC(C)/C(CCCN)=N/C#N
InChIInChI=1S/C8H15N3/c1-7(2)8(11-6-10)4-3-5-9/h7H,3-5,9H2,1-2H3/b11-8+
InChIKeyREKXCAMVEKBZGO-DHZHZOJOSA-N
XLogP1.30
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2-methylhexan-3-ylidene)cyanamide?
The IUPAC name of (6-amino-2-methylhexan-3-ylidene)cyanamide (CID 170199061) is (6-amino-2-methylhexan-3-ylidene)cyanamide.
What is the SMILES notation for (6-amino-2-methylhexan-3-ylidene)cyanamide?
The canonical SMILES for (6-amino-2-methylhexan-3-ylidene)cyanamide is CC(C)/C(CCCN)=N/C#N.
What is the InChIKey of (6-amino-2-methylhexan-3-ylidene)cyanamide?
The InChIKey is REKXCAMVEKBZGO-DHZHZOJOSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(2)8(11-6-10)4-3-5-9/h7H,3-5,9H2,1-2H3/b11-8+.
What are the key properties of (6-amino-2-methylhexan-3-ylidene)cyanamide?
(6-amino-2-methylhexan-3-ylidene)cyanamide has a molecular weight of 153.23 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-methylhexan-3-ylidene)cyanamide is sourced from PubChem (CID 170199061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).