N'-[2-[2-[(1Z)-cyclododecen-1-yl]ethyl]cyclohexyl]methanediamine

C21H40N2 — CID 167019160

IUPACN'-[2-[2-[(1Z)-cyclododecen-1-yl]ethyl]cyclohexyl]methanediamine
SMILESNCNC1CCCCC1CC/C1=C\CCCCCCCCCC1
InChIInChI=1S/C21H40N2/c22-18-23-21-15-11-10-14-20(21)17-16-19-12-8-6-4-2-1-3-5-7-9-13-19/h12,20-21,23H,1-11,13-18,22H2/b19-12-
InChIKeyJMPHTGKYUJXJQY-UNOMPAQXSA-N
MW320.57 g/mol
LogP5.67
Rot. Bonds5

About N'-[2-[2-[(1Z)-cyclododecen-1-yl]ethyl]cyclohexyl]methanediamine

N'-[2-[2-[(1Z)-cyclododecen-1-yl]ethyl]cyclohexyl]methanediamine (PubChem CID 167019160) has the molecular formula C21H40N2 and a molecular weight of 320.57 g/mol. Its IUPAC name is N'-[2-[2-[(1Z)-cyclododecen-1-yl]ethyl]cyclohexyl]methanediamine.

Molecular Properties

Compound NameN'-[2-[2-[(1Z)-cyclododecen-1-yl]ethyl]cyclohexyl]methanediamine
PubChem CID167019160
Molecular FormulaC21H40N2
Molecular Weight320.57 g/mol
Exact Mass320.32
IUPAC NameN'-[2-[2-[(1Z)-cyclododecen-1-yl]ethyl]cyclohexyl]methanediamine
SMILESNCNC1CCCCC1CC/C1=C\CCCCCCCCCC1
InChIInChI=1S/C21H40N2/c22-18-23-21-15-11-10-14-20(21)17-16-19-12-8-6-4-2-1-3-5-7-9-13-19/h12,20-21,23H,1-11,13-18,22H2/b19-12-
InChIKeyJMPHTGKYUJXJQY-UNOMPAQXSA-N
XLogP5.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.57
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[(1Z)-cyclododecen-1-yl]ethyl]cyclohexyl]methanediamine?
The IUPAC name of N'-[2-[2-[(1Z)-cyclododecen-1-yl]ethyl]cyclohexyl]methanediamine (CID 167019160) is N'-[2-[2-[(1Z)-cyclododecen-1-yl]ethyl]cyclohexyl]methanediamine.
What is the SMILES notation for N'-[2-[2-[(1Z)-cyclododecen-1-yl]ethyl]cyclohexyl]methanediamine?
The canonical SMILES for N'-[2-[2-[(1Z)-cyclododecen-1-yl]ethyl]cyclohexyl]methanediamine is NCNC1CCCCC1CC/C1=C\CCCCCCCCCC1.
What is the InChIKey of N'-[2-[2-[(1Z)-cyclododecen-1-yl]ethyl]cyclohexyl]methanediamine?
The InChIKey is JMPHTGKYUJXJQY-UNOMPAQXSA-N. The full InChI is InChI=1S/C21H40N2/c22-18-23-21-15-11-10-14-20(21)17-16-19-12-8-6-4-2-1-3-5-7-9-13-19/h12,20-21,23H,1-11,13-18,22H2/b19-12-.
What are the key properties of N'-[2-[2-[(1Z)-cyclododecen-1-yl]ethyl]cyclohexyl]methanediamine?
N'-[2-[2-[(1Z)-cyclododecen-1-yl]ethyl]cyclohexyl]methanediamine has a molecular weight of 320.57 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[(1Z)-cyclododecen-1-yl]ethyl]cyclohexyl]methanediamine is sourced from PubChem (CID 167019160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).