6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide

C13H29N3 — CID 106711950

IUPAC6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(C)C(C)CC
InChIInChI=1S/C13H29N3/c1-6-11(2)16(5)10-8-7-9-13(3,4)12(14)15/h11H,6-10H2,1-5H3,(H3,14,15)
InChIKeyCEVFBDNUHCWBSS-UHFFFAOYSA-N
MW227.40 g/mol
LogP2.85
Rot. Bonds8

About 6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide

6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide (PubChem CID 106711950) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide
PubChem CID106711950
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(C)C(C)CC
InChIInChI=1S/C13H29N3/c1-6-11(2)16(5)10-8-7-9-13(3,4)12(14)15/h11H,6-10H2,1-5H3,(H3,14,15)
InChIKeyCEVFBDNUHCWBSS-UHFFFAOYSA-N
XLogP2.85
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide
CID 65258029
6-(diethylamino)-2,2-dimethylhexanimidamide
CID 106711904
2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide
CID 106712046
2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 65258572
2,2-dimethyloctanimidamide
CID 58158153
6-butan-2-yloxy-2,2-dimethylhexanimidamide
CID 106712397
6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide
CID 106712213
5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254735
4-[1-cyclopropylethyl(methyl)amino]-2,2-dimethylbutanimidamide
CID 65252117
6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide
CID 106711942
2,2-dimethyl-5-propan-2-yloxypentanimidamide
CID 65258548
5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide
CID 102993810

Frequently Asked Questions

What is the IUPAC name of 6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide (CID 106711950) is 6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCN(C)C(C)CC.
What is the InChIKey of 6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide?
The InChIKey is CEVFBDNUHCWBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-6-11(2)16(5)10-8-7-9-13(3,4)12(14)15/h11H,6-10H2,1-5H3,(H3,14,15).
What are the key properties of 6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide?
6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide has a molecular weight of 227.40 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).