N,N-di(hexan-2-yl)formamide

C13H27NO — CID 22149163

IUPACN,N-di(hexan-2-yl)formamide
SMILESCCCCC(C)N(C=O)C(C)CCCC
InChIInChI=1S/C13H27NO/c1-5-7-9-12(3)14(11-15)13(4)10-8-6-2/h11-13H,5-10H2,1-4H3
InChIKeyZISZZAJZHDWDQT-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.60
Rot. Bonds9

About N,N-di(hexan-2-yl)formamide

N,N-di(hexan-2-yl)formamide (PubChem CID 22149163) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N,N-di(hexan-2-yl)formamide.

Molecular Properties

Compound NameN,N-di(hexan-2-yl)formamide
PubChem CID22149163
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN,N-di(hexan-2-yl)formamide
SMILESCCCCC(C)N(C=O)C(C)CCCC
InChIInChI=1S/C13H27NO/c1-5-7-9-12(3)14(11-15)13(4)10-8-6-2/h11-13H,5-10H2,1-4H3
InChIKeyZISZZAJZHDWDQT-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dibutylformamide
CID 12975
N-cyclohexyl-N-methylformamide
CID 10510948
N-cyclohexyl-N-cyclopropyl-formamide
CID 10654643
Formamide, N-cyclopentyl-N-propyl-(9CI)
CID 10773209
N-Cyclohexyl-N-ethylformamide
CID 10773210
N-dodecyl-N-methylformamide
CID 12651456
2,6-Dimethyl-1-piperidinecarboxaldehyde
CID 4643970
N-cyclopropyl-N-heptyl-formamide
CID 10535470
N-cyclohexyl-N-propyl-formamide
CID 10583265
N-Cyclohexyl-N-isopropyl-formamide
CID 10654696
N,N-dicyclohexylformamide
CID 347623
Formamide, N,N-dihexyl-
CID 10420764

Frequently Asked Questions

What is the IUPAC name of N,N-di(hexan-2-yl)formamide?
The IUPAC name of N,N-di(hexan-2-yl)formamide (CID 22149163) is N,N-di(hexan-2-yl)formamide.
What is the SMILES notation for N,N-di(hexan-2-yl)formamide?
The canonical SMILES for N,N-di(hexan-2-yl)formamide is CCCCC(C)N(C=O)C(C)CCCC.
What is the InChIKey of N,N-di(hexan-2-yl)formamide?
The InChIKey is ZISZZAJZHDWDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-7-9-12(3)14(11-15)13(4)10-8-6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of N,N-di(hexan-2-yl)formamide?
N,N-di(hexan-2-yl)formamide has a molecular weight of 213.36 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(hexan-2-yl)formamide is sourced from PubChem (CID 22149163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).