N-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide

C16H34N4O — CID 109467765

IUPACN-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide
SMILESCC(C)CCCC(C)N/C(N)=N/CCCNC(=O)C(C)C
InChIInChI=1S/C16H34N4O/c1-12(2)8-6-9-14(5)20-16(17)19-11-7-10-18-15(21)13(3)4/h12-14H,6-11H2,1-5H3,(H,18,21)(H3,17,19,20)
InChIKeyKHSLRSVAJYDENT-UHFFFAOYSA-N
MW298.48 g/mol
LogP2.27
Rot. Bonds10

About N-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide

N-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide (PubChem CID 109467765) has the molecular formula C16H34N4O and a molecular weight of 298.48 g/mol. Its IUPAC name is N-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide
PubChem CID109467765
Molecular FormulaC16H34N4O
Molecular Weight298.48 g/mol
Exact Mass298.27
IUPAC NameN-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide
SMILESCC(C)CCCC(C)N/C(N)=N/CCCNC(=O)C(C)C
InChIInChI=1S/C16H34N4O/c1-12(2)8-6-9-14(5)20-16(17)19-11-7-10-18-15(21)13(3)4/h12-14H,6-11H2,1-5H3,(H,18,21)(H3,17,19,20)
InChIKeyKHSLRSVAJYDENT-UHFFFAOYSA-N
XLogP2.27
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111094977
1-(6-methylheptan-2-yl)-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111767978
N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 111042694
N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111094891
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
2-(2-tert-butylsulfonylethyl)-1-(6-methylheptan-2-yl)guanidine
CID 111812150
1-(6-methylheptan-2-yl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034761
N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-3-methylbenzamide
CID 111075743
6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide
CID 170367414
2-[3-(4-hydroxyphenyl)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111816057
1-(6-methylheptan-2-yl)-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 111042599
2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111090945

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide (CID 109467765) is N-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide is CC(C)CCCC(C)N/C(N)=N/CCCNC(=O)C(C)C.
What is the InChIKey of N-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide?
The InChIKey is KHSLRSVAJYDENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-12(2)8-6-9-14(5)20-16(17)19-11-7-10-18-15(21)13(3)4/h12-14H,6-11H2,1-5H3,(H,18,21)(H3,17,19,20).
What are the key properties of N-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide?
N-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide has a molecular weight of 298.48 g/mol, XLogP of 2.27, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide is sourced from PubChem (CID 109467765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).