N,N,1,3-tetracyclohexylimidazolidin-2-amine

C27H49N3 — CID 118376903

IUPACN,N,1,3-tetracyclohexylimidazolidin-2-amine
SMILESC1CCC(N2CCN(C3CCCCC3)C2N(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C27H49N3/c1-5-13-23(14-6-1)28-21-22-29(24-15-7-2-8-16-24)27(28)30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h23-27H,1-22H2
InChIKeyAUPKBHWOQWMTRA-UHFFFAOYSA-N
MW415.71 g/mol
LogP6.52
Rot. Bonds5

About N,N,1,3-tetracyclohexylimidazolidin-2-amine

N,N,1,3-tetracyclohexylimidazolidin-2-amine (PubChem CID 118376903) has the molecular formula C27H49N3 and a molecular weight of 415.71 g/mol. Its IUPAC name is N,N,1,3-tetracyclohexylimidazolidin-2-amine.

Molecular Properties

Compound NameN,N,1,3-tetracyclohexylimidazolidin-2-amine
PubChem CID118376903
Molecular FormulaC27H49N3
Molecular Weight415.71 g/mol
Exact Mass415.39
IUPAC NameN,N,1,3-tetracyclohexylimidazolidin-2-amine
SMILESC1CCC(N2CCN(C3CCCCC3)C2N(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C27H49N3/c1-5-13-23(14-6-1)28-21-22-29(24-15-7-2-8-16-24)27(28)30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h23-27H,1-22H2
InChIKeyAUPKBHWOQWMTRA-UHFFFAOYSA-N
XLogP6.52
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.71
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,1,3-tetracyclohexylimidazolidin-2-amine?
The IUPAC name of N,N,1,3-tetracyclohexylimidazolidin-2-amine (CID 118376903) is N,N,1,3-tetracyclohexylimidazolidin-2-amine.
What is the SMILES notation for N,N,1,3-tetracyclohexylimidazolidin-2-amine?
The canonical SMILES for N,N,1,3-tetracyclohexylimidazolidin-2-amine is C1CCC(N2CCN(C3CCCCC3)C2N(C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of N,N,1,3-tetracyclohexylimidazolidin-2-amine?
The InChIKey is AUPKBHWOQWMTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H49N3/c1-5-13-23(14-6-1)28-21-22-29(24-15-7-2-8-16-24)27(28)30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h23-27H,1-22H2.
What are the key properties of N,N,1,3-tetracyclohexylimidazolidin-2-amine?
N,N,1,3-tetracyclohexylimidazolidin-2-amine has a molecular weight of 415.71 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetracyclohexylimidazolidin-2-amine is sourced from PubChem (CID 118376903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).