N-dodecyl-1-nitrosocycloheptan-1-amine

C19H38N2O — CID 57283646

IUPACN-dodecyl-1-nitrosocycloheptan-1-amine
SMILESCCCCCCCCCCCCNC1(N=O)CCCCCC1
InChIInChI=1S/C19H38N2O/c1-2-3-4-5-6-7-8-9-12-15-18-20-19(21-22)16-13-10-11-14-17-19/h20H,2-18H2,1H3
InChIKeyQDYRLOYTCRQOFX-UHFFFAOYSA-N
MW310.53 g/mol
LogP6.31
Rot. Bonds13

About N-dodecyl-1-nitrosocycloheptan-1-amine

N-dodecyl-1-nitrosocycloheptan-1-amine (PubChem CID 57283646) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is N-dodecyl-1-nitrosocycloheptan-1-amine.

Molecular Properties

Compound NameN-dodecyl-1-nitrosocycloheptan-1-amine
PubChem CID57283646
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC NameN-dodecyl-1-nitrosocycloheptan-1-amine
SMILESCCCCCCCCCCCCNC1(N=O)CCCCCC1
InChIInChI=1S/C19H38N2O/c1-2-3-4-5-6-7-8-9-12-15-18-20-19(21-22)16-13-10-11-14-17-19/h20H,2-18H2,1H3
InChIKeyQDYRLOYTCRQOFX-UHFFFAOYSA-N
XLogP6.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-1-methylcyclohexan-1-amine
CID 63491392
1-(chloromethyl)-N-decylcyclohexan-1-amine
CID 65024500
[1-(hexylamino)cyclohexyl]methanol
CID 62519893
1-methyl-N-pentylcyclopentan-1-amine
CID 61365384
N-butyl-1-ethylcyclohexan-1-amine
CID 163975014
1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
CID 132573279
N-hexyl-1-methylcyclohexane-1-sulfinamide
CID 21439268
ethane;1-methyl-N-pentylcyclobutan-1-amine
CID 164868131
cyclopropane;icosane
CID 162221728
cyclopropane;octadecane
CID 174865519
1-[(octylamino)methyl]cyclohexan-1-ol
CID 65106974
1,1,2,2-tetra(pentadecyl)cyclohexane
CID 175058240

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-1-nitrosocycloheptan-1-amine?
The IUPAC name of N-dodecyl-1-nitrosocycloheptan-1-amine (CID 57283646) is N-dodecyl-1-nitrosocycloheptan-1-amine.
What is the SMILES notation for N-dodecyl-1-nitrosocycloheptan-1-amine?
The canonical SMILES for N-dodecyl-1-nitrosocycloheptan-1-amine is CCCCCCCCCCCCNC1(N=O)CCCCCC1.
What is the InChIKey of N-dodecyl-1-nitrosocycloheptan-1-amine?
The InChIKey is QDYRLOYTCRQOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-2-3-4-5-6-7-8-9-12-15-18-20-19(21-22)16-13-10-11-14-17-19/h20H,2-18H2,1H3.
What are the key properties of N-dodecyl-1-nitrosocycloheptan-1-amine?
N-dodecyl-1-nitrosocycloheptan-1-amine has a molecular weight of 310.53 g/mol, XLogP of 6.31, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-1-nitrosocycloheptan-1-amine is sourced from PubChem (CID 57283646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).