2-amino-3-cyclohexylpropanoic acid;1-N,2-N-bis(piperidin-1-id-2-ylmethyl)cyclohexane-1,2-diamine;cobalt(2+)

C27H51CoN5O2 — CID 6395119

IUPAC2-amino-3-cyclohexylpropanoic acid;1-N,2-N-bis(piperidin-1-id-2-ylmethyl)cyclohexane-1,2-diamine;cobalt(2+)
SMILESC1CCC(CNC2CCCCC2NCC2CCCC[N-]2)[N-]C1.NC(CC1CCCCC1)C(=O)O.[Co+2]
InChIInChI=1S/C18H34N4.C9H17NO2.Co/c1-2-10-18(22-14-16-8-4-6-12-20-16)17(9-1)21-13-15-7-3-5-11-19-15;10-8(9(11)12)6-7-4-2-1-3-5-7;/h15-18,21-22H,1-14H2;7-8H,1-6,10H2,(H,11,12);/q-2;;+2
InChIKeyLDZKDDJHGPJTCV-UHFFFAOYSA-N
MW536.67 g/mol
LogP4.70
Rot. Bonds9

About 2-amino-3-cyclohexylpropanoic acid;1-N,2-N-bis(piperidin-1-id-2-ylmethyl)cyclohexane-1,2-diamine;cobalt(2+)

2-amino-3-cyclohexylpropanoic acid;1-N,2-N-bis(piperidin-1-id-2-ylmethyl)cyclohexane-1,2-diamine;cobalt(2+) (PubChem CID 6395119) has the molecular formula C27H51CoN5O2 and a molecular weight of 536.67 g/mol. Its IUPAC name is 2-amino-3-cyclohexylpropanoic acid;1-N,2-N-bis(piperidin-1-id-2-ylmethyl)cyclohexane-1,2-diamine;cobalt(2+).

Molecular Properties

Compound Name2-amino-3-cyclohexylpropanoic acid;1-N,2-N-bis(piperidin-1-id-2-ylmethyl)cyclohexane-1,2-diamine;cobalt(2+)
PubChem CID6395119
Molecular FormulaC27H51CoN5O2
Molecular Weight536.67 g/mol
Exact Mass536.34
IUPAC Name2-amino-3-cyclohexylpropanoic acid;1-N,2-N-bis(piperidin-1-id-2-ylmethyl)cyclohexane-1,2-diamine;cobalt(2+)
SMILESC1CCC(CNC2CCCCC2NCC2CCCC[N-]2)[N-]C1.NC(CC1CCCCC1)C(=O)O.[Co+2]
InChIInChI=1S/C18H34N4.C9H17NO2.Co/c1-2-10-18(22-14-16-8-4-6-12-20-16)17(9-1)21-13-15-7-3-5-11-19-15;10-8(9(11)12)6-7-4-2-1-3-5-7;/h15-18,21-22H,1-14H2;7-8H,1-6,10H2,(H,11,12);/q-2;;+2
InChIKeyLDZKDDJHGPJTCV-UHFFFAOYSA-N
XLogP4.70
TPSA115.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.67
LogP ≤ 54.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-cyclohexylpropanoic acid;1-N,2-N-bis(piperidin-1-id-2-ylmethyl)cyclohexane-1,2-diamine;cobalt(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexylpropanoic acid;1-N,2-N-bis(piperidin-1-id-2-ylmethyl)cyclohexane-1,2-diamine;cobalt(2+)?
The IUPAC name of 2-amino-3-cyclohexylpropanoic acid;1-N,2-N-bis(piperidin-1-id-2-ylmethyl)cyclohexane-1,2-diamine;cobalt(2+) (CID 6395119) is 2-amino-3-cyclohexylpropanoic acid;1-N,2-N-bis(piperidin-1-id-2-ylmethyl)cyclohexane-1,2-diamine;cobalt(2+).
What is the SMILES notation for 2-amino-3-cyclohexylpropanoic acid;1-N,2-N-bis(piperidin-1-id-2-ylmethyl)cyclohexane-1,2-diamine;cobalt(2+)?
The canonical SMILES for 2-amino-3-cyclohexylpropanoic acid;1-N,2-N-bis(piperidin-1-id-2-ylmethyl)cyclohexane-1,2-diamine;cobalt(2+) is C1CCC(CNC2CCCCC2NCC2CCCC[N-]2)[N-]C1.NC(CC1CCCCC1)C(=O)O.[Co+2].
What is the InChIKey of 2-amino-3-cyclohexylpropanoic acid;1-N,2-N-bis(piperidin-1-id-2-ylmethyl)cyclohexane-1,2-diamine;cobalt(2+)?
The InChIKey is LDZKDDJHGPJTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4.C9H17NO2.Co/c1-2-10-18(22-14-16-8-4-6-12-20-16)17(9-1)21-13-15-7-3-5-11-19-15;10-8(9(11)12)6-7-4-2-1-3-5-7;/h15-18,21-22H,1-14H2;7-8H,1-6,10H2,(H,11,12);/q-2;;+2.
What are the key properties of 2-amino-3-cyclohexylpropanoic acid;1-N,2-N-bis(piperidin-1-id-2-ylmethyl)cyclohexane-1,2-diamine;cobalt(2+)?
2-amino-3-cyclohexylpropanoic acid;1-N,2-N-bis(piperidin-1-id-2-ylmethyl)cyclohexane-1,2-diamine;cobalt(2+) has a molecular weight of 536.67 g/mol, XLogP of 4.70, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexylpropanoic acid;1-N,2-N-bis(piperidin-1-id-2-ylmethyl)cyclohexane-1,2-diamine;cobalt(2+) is sourced from PubChem (CID 6395119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).