3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide

C13H26N4O — CID 134484614

IUPAC3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide
SMILESCC(C)C1CCC(NC(=O)CCN=C(N)N)CC1
InChIInChI=1S/C13H26N4O/c1-9(2)10-3-5-11(6-4-10)17-12(18)7-8-16-13(14)15/h9-11H,3-8H2,1-2H3,(H,17,18)(H4,14,15,16)
InChIKeyCBOPUVMADABFKV-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.98
Rot. Bonds5

About 3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide

3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide (PubChem CID 134484614) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide
PubChem CID134484614
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide
SMILESCC(C)C1CCC(NC(=O)CCN=C(N)N)CC1
InChIInChI=1S/C13H26N4O/c1-9(2)10-3-5-11(6-4-10)17-12(18)7-8-16-13(14)15/h9-11H,3-8H2,1-2H3,(H,17,18)(H4,14,15,16)
InChIKeyCBOPUVMADABFKV-UHFFFAOYSA-N
XLogP0.98
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide
CID 79401114
2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide
CID 153459202
N,N'-dicyclopropylbutanediamide
CID 5225156
N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide
CID 110030235
3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 120611579
5-amino-N-cyclopropylhexanamide
CID 82848782
N-cyclopropyl-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394773
N-cyclopropyl-3-[(3-propan-2-ylcyclohexyl)amino]propanamide
CID 107448606
2-(dimethylamino)-N-(3-propan-2-ylcyclopentyl)acetamide
CID 90085459
1-(aminomethyl)-N-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxamide
CID 71234398
3-[(4-amino-4-hydroxyiminobutan-2-yl)amino]-N-cyclopropylpropanamide
CID 79400718

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide?
The IUPAC name of 3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide (CID 134484614) is 3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide.
What is the SMILES notation for 3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide?
The canonical SMILES for 3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide is CC(C)C1CCC(NC(=O)CCN=C(N)N)CC1.
What is the InChIKey of 3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide?
The InChIKey is CBOPUVMADABFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-9(2)10-3-5-11(6-4-10)17-12(18)7-8-16-13(14)15/h9-11H,3-8H2,1-2H3,(H,17,18)(H4,14,15,16).
What are the key properties of 3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide?
3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide has a molecular weight of 254.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide is sourced from PubChem (CID 134484614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).