N-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine

C14H30N3OP — CID 23412889

IUPACN-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine
SMILESCN(C)P(=O)(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C14H30N3OP/c1-17(2)19(18,15-13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3,(H2,15,16,18)
InChIKeyGGZFMNNJLFFHAT-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.50
Rot. Bonds5

About N-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine

N-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine (PubChem CID 23412889) has the molecular formula C14H30N3OP and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine.

Molecular Properties

Compound NameN-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine
PubChem CID23412889
Molecular FormulaC14H30N3OP
Molecular Weight287.39 g/mol
Exact Mass287.21
IUPAC NameN-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine
SMILESCN(C)P(=O)(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C14H30N3OP/c1-17(2)19(18,15-13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3,(H2,15,16,18)
InChIKeyGGZFMNNJLFFHAT-UHFFFAOYSA-N
XLogP3.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine?
The IUPAC name of N-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine (CID 23412889) is N-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine.
What is the SMILES notation for N-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine?
The canonical SMILES for N-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine is CN(C)P(=O)(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of N-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine?
The InChIKey is GGZFMNNJLFFHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N3OP/c1-17(2)19(18,15-13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3,(H2,15,16,18).
What are the key properties of N-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine?
N-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine has a molecular weight of 287.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine is sourced from PubChem (CID 23412889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).