(3-amino-3-methylbutyl)cyanamide

C6H13N3 — CID 57302490

IUPAC(3-amino-3-methylbutyl)cyanamide
SMILESCC(C)(N)CCNC#N
InChIInChI=1S/C6H13N3/c1-6(2,8)3-4-9-5-7/h9H,3-4,8H2,1-2H3
InChIKeyQCDKJJGEGYHKOU-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.18
Rot. Bonds3

About (3-amino-3-methylbutyl)cyanamide

(3-amino-3-methylbutyl)cyanamide (PubChem CID 57302490) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (3-amino-3-methylbutyl)cyanamide.

Molecular Properties

Compound Name(3-amino-3-methylbutyl)cyanamide
PubChem CID57302490
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(3-amino-3-methylbutyl)cyanamide
SMILESCC(C)(N)CCNC#N
InChIInChI=1S/C6H13N3/c1-6(2,8)3-4-9-5-7/h9H,3-4,8H2,1-2H3
InChIKeyQCDKJJGEGYHKOU-UHFFFAOYSA-N
XLogP0.18
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyanomethylcyanamide
CID 154221989
1,3-bis(3-amino-3-methylbutyl)urea
CID 57132774
1,3-bis(3-amino-3-methylbutyl)thiourea
CID 54335220
1-[(3-amino-3-methylbutyl)amino]ethanethiol
CID 129226089
1-[(3-amino-3-methylbutyl)amino]ethanol
CID 174756384
3-(methylamino)propylcyanamide
CID 153177129
[3-phenyl-3-[4-(trifluoromethyl)phenoxy]butyl]cyanamide
CID 57210582
1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine
CID 64681637
(4-hydroxy-2,2-dimethylbutyl)cyanamide
CID 106146768
3-methylsulfanylpropylcyanamide
CID 63965821
(2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine
CID 143942317
1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine
CID 115200420

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-methylbutyl)cyanamide?
The IUPAC name of (3-amino-3-methylbutyl)cyanamide (CID 57302490) is (3-amino-3-methylbutyl)cyanamide.
What is the SMILES notation for (3-amino-3-methylbutyl)cyanamide?
The canonical SMILES for (3-amino-3-methylbutyl)cyanamide is CC(C)(N)CCNC#N.
What is the InChIKey of (3-amino-3-methylbutyl)cyanamide?
The InChIKey is QCDKJJGEGYHKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-6(2,8)3-4-9-5-7/h9H,3-4,8H2,1-2H3.
What are the key properties of (3-amino-3-methylbutyl)cyanamide?
(3-amino-3-methylbutyl)cyanamide has a molecular weight of 127.19 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-methylbutyl)cyanamide is sourced from PubChem (CID 57302490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).