4-(N-butylanilino)-2,2-dimethylbutanimidamide

C16H27N3 — CID 65252661

IUPAC4-(N-butylanilino)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CCCC)c1ccccc1
InChIInChI=1S/C16H27N3/c1-4-5-12-19(14-9-7-6-8-10-14)13-11-16(2,3)15(17)18/h6-10H,4-5,11-13H2,1-3H3,(H3,17,18)
InChIKeyTXQUFDJTSNJNQK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.65
Rot. Bonds8

About 4-(N-butylanilino)-2,2-dimethylbutanimidamide

4-(N-butylanilino)-2,2-dimethylbutanimidamide (PubChem CID 65252661) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(N-butylanilino)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(N-butylanilino)-2,2-dimethylbutanimidamide
PubChem CID65252661
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-(N-butylanilino)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CCCC)c1ccccc1
InChIInChI=1S/C16H27N3/c1-4-5-12-19(14-9-7-6-8-10-14)13-11-16(2,3)15(17)18/h6-10H,4-5,11-13H2,1-3H3,(H3,17,18)
InChIKeyTXQUFDJTSNJNQK-UHFFFAOYSA-N
XLogP3.65
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
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

5-(N-butylanilino)-2,2-dimethylpentanimidamide
CID 65258340
2-amino-3-(N-butylanilino)-2-methylpropanamide
CID 64585233
methyl 4-(N-butylanilino)-2-methyl-2-(methylamino)butanoate
CID 64586012
3-(N-butylanilino)propanamide
CID 63172183
4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol
CID 64811474
N,N-dibutylaniline;perchloric acid
CID 71443116
4-(N-ethylanilino)butanimidamide
CID 24691564
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
3-[(N-butylanilino)methyl]benzenecarboximidamide
CID 64585202
4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol
CID 79359729
5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol
CID 64810841

Frequently Asked Questions

What is the IUPAC name of 4-(N-butylanilino)-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(N-butylanilino)-2,2-dimethylbutanimidamide (CID 65252661) is 4-(N-butylanilino)-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(N-butylanilino)-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(N-butylanilino)-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN(CCCC)c1ccccc1.
What is the InChIKey of 4-(N-butylanilino)-2,2-dimethylbutanimidamide?
The InChIKey is TXQUFDJTSNJNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-5-12-19(14-9-7-6-8-10-14)13-11-16(2,3)15(17)18/h6-10H,4-5,11-13H2,1-3H3,(H3,17,18).
What are the key properties of 4-(N-butylanilino)-2,2-dimethylbutanimidamide?
4-(N-butylanilino)-2,2-dimethylbutanimidamide has a molecular weight of 261.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-butylanilino)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65252661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).