6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine

C23H48N4 — CID 100984635

IUPAC6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine
SMILESNC1CCCCC(NCCCNC2CCCCC(N)CCCC2)CCCC1
InChIInChI=1S/C23H48N4/c24-20-10-1-5-14-22(15-6-2-11-20)26-18-9-19-27-23-16-7-3-12-21(25)13-4-8-17-23/h20-23,26-27H,1-19,24-25H2
InChIKeyOQXAYDWKEPNOCR-UHFFFAOYSA-N
MW380.67 g/mol
LogP4.22
Rot. Bonds6

About 6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine

6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine (PubChem CID 100984635) has the molecular formula C23H48N4 and a molecular weight of 380.67 g/mol. Its IUPAC name is 6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine.

Molecular Properties

Compound Name6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine
PubChem CID100984635
Molecular FormulaC23H48N4
Molecular Weight380.67 g/mol
Exact Mass380.39
IUPAC Name6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine
SMILESNC1CCCCC(NCCCNC2CCCCC(N)CCCC2)CCCC1
InChIInChI=1S/C23H48N4/c24-20-10-1-5-14-22(15-6-2-11-20)26-18-9-19-27-23-16-7-3-12-21(25)13-4-8-17-23/h20-23,26-27H,1-19,24-25H2
InChIKeyOQXAYDWKEPNOCR-UHFFFAOYSA-N
XLogP4.22
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.67
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine
CID 121321911
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N'-cycloheptylbutane-1,4-diamine
CID 60894157
cyclohexanamine;N-ethylcyclohexanamine
CID 22649726
CID 175698442
CID 175698442
1-N-(3-cyclohexyloxypropyl)cyclohexane-1,3-diamine
CID 79458447
N'-cyclopentylethane-1,2-diamine;dihydrochloride
CID 154725501
N'-cycloundecylethane-1,2-diamine
CID 166845791
O-[3-(cyclohexylamino)propyl]hydroxylamine
CID 139932359
6-[(3-aminocyclohexyl)amino]hexan-1-ol
CID 107848750
5-[(3-aminocyclohexyl)amino]pentan-1-ol
CID 107316668
N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen
CID 142089366

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine?
The IUPAC name of 6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine (CID 100984635) is 6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine.
What is the SMILES notation for 6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine?
The canonical SMILES for 6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine is NC1CCCCC(NCCCNC2CCCCC(N)CCCC2)CCCC1.
What is the InChIKey of 6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine?
The InChIKey is OQXAYDWKEPNOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N4/c24-20-10-1-5-14-22(15-6-2-11-20)26-18-9-19-27-23-16-7-3-12-21(25)13-4-8-17-23/h20-23,26-27H,1-19,24-25H2.
What are the key properties of 6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine?
6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine has a molecular weight of 380.67 g/mol, XLogP of 4.22, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine is sourced from PubChem (CID 100984635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).