5-(N-butylanilino)-2,2-dimethylpentanimidamide

C17H29N3 — CID 65258340

IUPAC5-(N-butylanilino)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CCCC)c1ccccc1
InChIInChI=1S/C17H29N3/c1-4-5-13-20(15-10-7-6-8-11-15)14-9-12-17(2,3)16(18)19/h6-8,10-11H,4-5,9,12-14H2,1-3H3,(H3,18,19)
InChIKeyIRMBETBHYPAQSU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.04
Rot. Bonds9

About 5-(N-butylanilino)-2,2-dimethylpentanimidamide

5-(N-butylanilino)-2,2-dimethylpentanimidamide (PubChem CID 65258340) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-(N-butylanilino)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(N-butylanilino)-2,2-dimethylpentanimidamide
PubChem CID65258340
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name5-(N-butylanilino)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CCCC)c1ccccc1
InChIInChI=1S/C17H29N3/c1-4-5-13-20(15-10-7-6-8-11-15)14-9-12-17(2,3)16(18)19/h6-8,10-11H,4-5,9,12-14H2,1-3H3,(H3,18,19)
InChIKeyIRMBETBHYPAQSU-UHFFFAOYSA-N
XLogP4.04
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.04
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

4-(N-butylanilino)-2,2-dimethylbutanimidamide
CID 65252661
2-amino-3-(N-butylanilino)-2-methylpropanamide
CID 64585233
5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide
CID 65258136
3-(N-butylanilino)propanamide
CID 63172183
5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol
CID 64810841
N,N-dibutylaniline;perchloric acid
CID 71443116
2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 65258572
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
methyl 4-(N-butylanilino)-2-methyl-2-(methylamino)butanoate
CID 64586012

Frequently Asked Questions

What is the IUPAC name of 5-(N-butylanilino)-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(N-butylanilino)-2,2-dimethylpentanimidamide (CID 65258340) is 5-(N-butylanilino)-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(N-butylanilino)-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(N-butylanilino)-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(CCCC)c1ccccc1.
What is the InChIKey of 5-(N-butylanilino)-2,2-dimethylpentanimidamide?
The InChIKey is IRMBETBHYPAQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-5-13-20(15-10-7-6-8-11-15)14-9-12-17(2,3)16(18)19/h6-8,10-11H,4-5,9,12-14H2,1-3H3,(H3,18,19).
What are the key properties of 5-(N-butylanilino)-2,2-dimethylpentanimidamide?
5-(N-butylanilino)-2,2-dimethylpentanimidamide has a molecular weight of 275.44 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-butylanilino)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).