N-dodecylcyclohexanamine

C18H37N — CID 3679395

IUPACN-dodecylcyclohexanamine
SMILESCCCCCCCCCCCCNC1CCCCC1
InChIInChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-14-17-19-18-15-12-11-13-16-18/h18-19H,2-17H2,1H3
InChIKeyRFCOOTZDCSCNPE-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.83
Rot. Bonds12

About N-dodecylcyclohexanamine

N-dodecylcyclohexanamine (PubChem CID 3679395) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-dodecylcyclohexanamine.

Molecular Properties

Compound NameN-dodecylcyclohexanamine
PubChem CID3679395
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-dodecylcyclohexanamine
SMILESCCCCCCCCCCCCNC1CCCCC1
InChIInChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-14-17-19-18-15-12-11-13-16-18/h18-19H,2-17H2,1H3
InChIKeyRFCOOTZDCSCNPE-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N-decylethane-1,2-diamine
CID 163569737
N-butylcyclohexanamine;molecular hydrogen
CID 143047743
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N'-cyclopropyl-N-decylpropane-1,3-diamine
CID 113410376
2-(cyclohexylamino)-N-octylethanesulfonamide
CID 45480035
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
4-chloro-N-hexylcyclohexan-1-amine
CID 65024365
4-chloro-N-octylcyclohexan-1-amine
CID 65023952
N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine
CID 69171218
N-decyl-4-ethylcyclohexan-1-amine
CID 63492402

Frequently Asked Questions

What is the IUPAC name of N-dodecylcyclohexanamine?
The IUPAC name of N-dodecylcyclohexanamine (CID 3679395) is N-dodecylcyclohexanamine.
What is the SMILES notation for N-dodecylcyclohexanamine?
The canonical SMILES for N-dodecylcyclohexanamine is CCCCCCCCCCCCNC1CCCCC1.
What is the InChIKey of N-dodecylcyclohexanamine?
The InChIKey is RFCOOTZDCSCNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-14-17-19-18-15-12-11-13-16-18/h18-19H,2-17H2,1H3.
What are the key properties of N-dodecylcyclohexanamine?
N-dodecylcyclohexanamine has a molecular weight of 267.50 g/mol, XLogP of 5.83, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecylcyclohexanamine is sourced from PubChem (CID 3679395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).