dicyclohexylmethanediamine;hexanedioic acid

C19H36N2O4 — CID 70400828

IUPACdicyclohexylmethanediamine;hexanedioic acid
SMILESNC(N)(C1CCCCC1)C1CCCCC1.O=C(O)CCCCC(=O)O
InChIInChI=1S/C13H26N2.C6H10O4/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-5(8)3-1-2-4-6(9)10/h11-12H,1-10,14-15H2;1-4H2,(H,7,8)(H,9,10)
InChIKeyVFYOSBSQRPRIDO-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.48
Rot. Bonds7

About dicyclohexylmethanediamine;hexanedioic acid

dicyclohexylmethanediamine;hexanedioic acid (PubChem CID 70400828) has the molecular formula C19H36N2O4 and a molecular weight of 356.51 g/mol. Its IUPAC name is dicyclohexylmethanediamine;hexanedioic acid.

Molecular Properties

Compound Namedicyclohexylmethanediamine;hexanedioic acid
PubChem CID70400828
Molecular FormulaC19H36N2O4
Molecular Weight356.51 g/mol
Exact Mass356.27
IUPAC Namedicyclohexylmethanediamine;hexanedioic acid
SMILESNC(N)(C1CCCCC1)C1CCCCC1.O=C(O)CCCCC(=O)O
InChIInChI=1S/C13H26N2.C6H10O4/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-5(8)3-1-2-4-6(9)10/h11-12H,1-10,14-15H2;1-4H2,(H,7,8)(H,9,10)
InChIKeyVFYOSBSQRPRIDO-UHFFFAOYSA-N
XLogP3.48
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-di(cyclododecyl)dodecanedioic acid
CID 121470791
7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid
CID 70625667
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
10-amino-10-oxodecanoic acid;cyclohexane
CID 67918729
7-cyclopropyl-7-oxoheptanoic acid
CID 24726981
(2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid
CID 67022454
N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid
CID 173099176

Frequently Asked Questions

What is the IUPAC name of dicyclohexylmethanediamine;hexanedioic acid?
The IUPAC name of dicyclohexylmethanediamine;hexanedioic acid (CID 70400828) is dicyclohexylmethanediamine;hexanedioic acid.
What is the SMILES notation for dicyclohexylmethanediamine;hexanedioic acid?
The canonical SMILES for dicyclohexylmethanediamine;hexanedioic acid is NC(N)(C1CCCCC1)C1CCCCC1.O=C(O)CCCCC(=O)O.
What is the InChIKey of dicyclohexylmethanediamine;hexanedioic acid?
The InChIKey is VFYOSBSQRPRIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C6H10O4/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-5(8)3-1-2-4-6(9)10/h11-12H,1-10,14-15H2;1-4H2,(H,7,8)(H,9,10).
What are the key properties of dicyclohexylmethanediamine;hexanedioic acid?
dicyclohexylmethanediamine;hexanedioic acid has a molecular weight of 356.51 g/mol, XLogP of 3.48, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexylmethanediamine;hexanedioic acid is sourced from PubChem (CID 70400828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).