N'-cyclohexyl-N'-propan-2-ylmethanediamine

C10H22N2 — CID 54225013

IUPACN'-cyclohexyl-N'-propan-2-ylmethanediamine
SMILESCC(C)N(CN)C1CCCCC1
InChIInChI=1S/C10H22N2/c1-9(2)12(8-11)10-6-4-3-5-7-10/h9-10H,3-8,11H2,1-2H3
InChIKeyYLHYQVLUWZNDFH-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.95
Rot. Bonds3

About N'-cyclohexyl-N'-propan-2-ylmethanediamine

N'-cyclohexyl-N'-propan-2-ylmethanediamine (PubChem CID 54225013) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-cyclohexyl-N'-propan-2-ylmethanediamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-propan-2-ylmethanediamine
PubChem CID54225013
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-cyclohexyl-N'-propan-2-ylmethanediamine
SMILESCC(C)N(CN)C1CCCCC1
InChIInChI=1S/C10H22N2/c1-9(2)12(8-11)10-6-4-3-5-7-10/h9-10H,3-8,11H2,1-2H3
InChIKeyYLHYQVLUWZNDFH-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-propan-2-ylmethanediamine?
The IUPAC name of N'-cyclohexyl-N'-propan-2-ylmethanediamine (CID 54225013) is N'-cyclohexyl-N'-propan-2-ylmethanediamine.
What is the SMILES notation for N'-cyclohexyl-N'-propan-2-ylmethanediamine?
The canonical SMILES for N'-cyclohexyl-N'-propan-2-ylmethanediamine is CC(C)N(CN)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-propan-2-ylmethanediamine?
The InChIKey is YLHYQVLUWZNDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(2)12(8-11)10-6-4-3-5-7-10/h9-10H,3-8,11H2,1-2H3.
What are the key properties of N'-cyclohexyl-N'-propan-2-ylmethanediamine?
N'-cyclohexyl-N'-propan-2-ylmethanediamine has a molecular weight of 170.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-propan-2-ylmethanediamine is sourced from PubChem (CID 54225013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).