N-(6,6-dimethylheptyl)formamide

C10H21NO — CID 166796466

IUPACN-(6,6-dimethylheptyl)formamide
SMILESCC(C)(C)CCCCCNC=O
InChIInChI=1S/C10H21NO/c1-10(2,3)7-5-4-6-8-11-9-12/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyMOGKHCFQBBUVJR-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.34
Rot. Bonds6

About N-(6,6-dimethylheptyl)formamide

N-(6,6-dimethylheptyl)formamide (PubChem CID 166796466) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(6,6-dimethylheptyl)formamide.

Molecular Properties

Compound NameN-(6,6-dimethylheptyl)formamide
PubChem CID166796466
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(6,6-dimethylheptyl)formamide
SMILESCC(C)(C)CCCCCNC=O
InChIInChI=1S/C10H21NO/c1-10(2,3)7-5-4-6-8-11-9-12/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyMOGKHCFQBBUVJR-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 54077607
N-pentacosylformamide
CID 88723962
18,18-dimethyl-N-octadecylnonadecan-1-amine
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N-[(3,3-dimethylbutylamino)methyl]formamide
CID 167581609
N-hexadecyl-18,18-dimethylnonadecan-1-amine;hydrochloride
CID 173196630
N-(12,12-dimethyltridecyl)hexadecan-1-amine;hydrobromide
CID 174728206
ethane;N-pentylformamide
CID 145350301
N-[3-(methylamino)propyl]formamide
CID 54313593
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-(3,3-dimethylpentyl)formamide
CID 143115994
N-(5,5-dimethylhexyl)methanesulfonamide
CID 20706690
5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 55071072

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethylheptyl)formamide?
The IUPAC name of N-(6,6-dimethylheptyl)formamide (CID 166796466) is N-(6,6-dimethylheptyl)formamide.
What is the SMILES notation for N-(6,6-dimethylheptyl)formamide?
The canonical SMILES for N-(6,6-dimethylheptyl)formamide is CC(C)(C)CCCCCNC=O.
What is the InChIKey of N-(6,6-dimethylheptyl)formamide?
The InChIKey is MOGKHCFQBBUVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)7-5-4-6-8-11-9-12/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-(6,6-dimethylheptyl)formamide?
N-(6,6-dimethylheptyl)formamide has a molecular weight of 171.28 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethylheptyl)formamide is sourced from PubChem (CID 166796466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).