5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide

C14H32N4 — CID 102993810

IUPAC5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CC)CCCN(C)C
InChIInChI=1S/C14H32N4/c1-6-18(12-8-10-17(4)5)11-7-9-14(2,3)13(15)16/h6-12H2,1-5H3,(H3,15,16)
InChIKeyPKVYALKIDBGYQV-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.00
Rot. Bonds10

About 5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide

5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide (PubChem CID 102993810) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide
PubChem CID102993810
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CC)CCCN(C)C
InChIInChI=1S/C14H32N4/c1-6-18(12-8-10-17(4)5)11-7-9-14(2,3)13(15)16/h6-12H2,1-5H3,(H3,15,16)
InChIKeyPKVYALKIDBGYQV-UHFFFAOYSA-N
XLogP2.00
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

6-(diethylamino)-2,2-dimethylhexanimidamide
CID 106711904
6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide
CID 106712213
5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide
CID 65258077
6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide
CID 106711950
5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide
CID 65258029
2,2-dimethyloctanimidamide
CID 58158153
2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide
CID 65250610
5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide
CID 65258136
5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide
CID 65258758
2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 65258572
4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide
CID 65252068
methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate
CID 102996569

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide (CID 102993810) is 5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(CC)CCCN(C)C.
What is the InChIKey of 5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide?
The InChIKey is PKVYALKIDBGYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-6-18(12-8-10-17(4)5)11-7-9-14(2,3)13(15)16/h6-12H2,1-5H3,(H3,15,16).
What are the key properties of 5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide?
5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide has a molecular weight of 256.44 g/mol, XLogP of 2.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 102993810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).