N,N-diamino-2,3-dimethyl-3-(methylideneamino)butan-2-amine

C7H18N4 — CID 163872694

IUPACN,N-diamino-2,3-dimethyl-3-(methylideneamino)butan-2-amine
SMILESC=NC(C)(C)C(C)(C)N(N)N
InChIInChI=1S/C7H18N4/c1-6(2,10-5)7(3,4)11(8)9/h5,8-9H2,1-4H3
InChIKeyPMFOOPITCDXZMH-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.29
Rot. Bonds3

About N,N-diamino-2,3-dimethyl-3-(methylideneamino)butan-2-amine

N,N-diamino-2,3-dimethyl-3-(methylideneamino)butan-2-amine (PubChem CID 163872694) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is N,N-diamino-2,3-dimethyl-3-(methylideneamino)butan-2-amine.

Molecular Properties

Compound NameN,N-diamino-2,3-dimethyl-3-(methylideneamino)butan-2-amine
PubChem CID163872694
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC NameN,N-diamino-2,3-dimethyl-3-(methylideneamino)butan-2-amine
SMILESC=NC(C)(C)C(C)(C)N(N)N
InChIInChI=1S/C7H18N4/c1-6(2,10-5)7(3,4)11(8)9/h5,8-9H2,1-4H3
InChIKeyPMFOOPITCDXZMH-UHFFFAOYSA-N
XLogP0.29
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-2-(methylideneamino)propan-2-amine
CID 88891205
N-[(Z)-1-[amino(propan-2-yl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine
CID 146213851
N-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine
CID 146964297
N-(2,3,4-trimethylpentan-3-yl)methanimine
CID 142214385
[3-amino-4-[amino-(methylideneamino)iodanuidylamino]-2,4-dimethyl-3-(methylideneamino)pentan-2-yl] 2-aminoprop-2-enoate
CID 163812476
(2S)-2-amino-3,3-dimethyl(114C)butanamide
CID 57385453
N-amino-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine
CID 167227928
N-ethenyl-N,2,3,3-tetramethylbutan-2-amine
CID 166788649
(Z)-1-N,3,3-trimethyl-1-N-(methylideneamino)but-1-ene-1,2-diamine
CID 170021824
N-(2,4-dimethylpentan-2-yl)methanimine
CID 146407592
N-(2,4,6-trimethylheptan-4-yl)methanimine
CID 142214459
N-[(Z)-2-[amino(methyl)amino]ethenyl]methanimine
CID 143890415

Frequently Asked Questions

What is the IUPAC name of N,N-diamino-2,3-dimethyl-3-(methylideneamino)butan-2-amine?
The IUPAC name of N,N-diamino-2,3-dimethyl-3-(methylideneamino)butan-2-amine (CID 163872694) is N,N-diamino-2,3-dimethyl-3-(methylideneamino)butan-2-amine.
What is the SMILES notation for N,N-diamino-2,3-dimethyl-3-(methylideneamino)butan-2-amine?
The canonical SMILES for N,N-diamino-2,3-dimethyl-3-(methylideneamino)butan-2-amine is C=NC(C)(C)C(C)(C)N(N)N.
What is the InChIKey of N,N-diamino-2,3-dimethyl-3-(methylideneamino)butan-2-amine?
The InChIKey is PMFOOPITCDXZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c1-6(2,10-5)7(3,4)11(8)9/h5,8-9H2,1-4H3.
What are the key properties of N,N-diamino-2,3-dimethyl-3-(methylideneamino)butan-2-amine?
N,N-diamino-2,3-dimethyl-3-(methylideneamino)butan-2-amine has a molecular weight of 158.25 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diamino-2,3-dimethyl-3-(methylideneamino)butan-2-amine is sourced from PubChem (CID 163872694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).