4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide

C14H30N4 — CID 166738649

IUPAC4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide
SMILES[H]/N=C(\N)CCC(C)(C)C/N=C(/NC(C)C)C(C)C
InChIInChI=1S/C14H30N4/c1-10(2)13(18-11(3)4)17-9-14(5,6)8-7-12(15)16/h10-11H,7-9H2,1-6H3,(H3,15,16)(H,17,18)
InChIKeyZTORKTOQABJQPT-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.78
Rot. Bonds7

About 4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide

4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide (PubChem CID 166738649) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide.

Molecular Properties

Compound Name4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide
PubChem CID166738649
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide
SMILES[H]/N=C(\N)CCC(C)(C)C/N=C(/NC(C)C)C(C)C
InChIInChI=1S/C14H30N4/c1-10(2)13(18-11(3)4)17-9-14(5,6)8-7-12(15)16/h10-11H,7-9H2,1-6H3,(H3,15,16)(H,17,18)
InChIKeyZTORKTOQABJQPT-UHFFFAOYSA-N
XLogP2.78
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.78
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

2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine
CID 106148866
2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine
CID 106148874
4,4-difluoropentanimidamide
CID 84731110
5-hydroxy-5-methylhexanimidamide
CID 159996634
5-hydroxy-4-methylpentanimidamide
CID 91614670
4,4,4-trifluorobutanimidamide;hydrochloride
CID 71758218
2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine
CID 111813102
N-(4-amino-4-iminobutyl)-2-methylpropanamide
CID 159846506
6-imino-3,3,7-trimethyloctane-1,5-diamine
CID 154999303
carbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide)
CID 160563062
butanediimidamide;dihydrochloride
CID 88614640
1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine
CID 176547033

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide?
The IUPAC name of 4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide (CID 166738649) is 4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide.
What is the SMILES notation for 4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide?
The canonical SMILES for 4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide is [H]/N=C(\N)CCC(C)(C)C/N=C(/NC(C)C)C(C)C.
What is the InChIKey of 4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide?
The InChIKey is ZTORKTOQABJQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-10(2)13(18-11(3)4)17-9-14(5,6)8-7-12(15)16/h10-11H,7-9H2,1-6H3,(H3,15,16)(H,17,18).
What are the key properties of 4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide?
4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide has a molecular weight of 254.42 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide is sourced from PubChem (CID 166738649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).