N'-methyl-N-propan-2-yl-N'-[(propan-2-ylamino)methyl]methanediamine

C9H23N3 — CID 122450469

IUPACN'-methyl-N-propan-2-yl-N'-[(propan-2-ylamino)methyl]methanediamine
SMILESCC(C)NCN(C)CNC(C)C
InChIInChI=1S/C9H23N3/c1-8(2)10-6-12(5)7-11-9(3)4/h8-11H,6-7H2,1-5H3
InChIKeyFJMHMVKYBCUNJC-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.83
Rot. Bonds6

About N'-methyl-N-propan-2-yl-N'-[(propan-2-ylamino)methyl]methanediamine

N'-methyl-N-propan-2-yl-N'-[(propan-2-ylamino)methyl]methanediamine (PubChem CID 122450469) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is N'-methyl-N-propan-2-yl-N'-[(propan-2-ylamino)methyl]methanediamine.

Molecular Properties

Compound NameN'-methyl-N-propan-2-yl-N'-[(propan-2-ylamino)methyl]methanediamine
PubChem CID122450469
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC NameN'-methyl-N-propan-2-yl-N'-[(propan-2-ylamino)methyl]methanediamine
SMILESCC(C)NCN(C)CNC(C)C
InChIInChI=1S/C9H23N3/c1-8(2)10-6-12(5)7-11-9(3)4/h8-11H,6-7H2,1-5H3
InChIKeyFJMHMVKYBCUNJC-UHFFFAOYSA-N
XLogP0.83
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-methyl-N-propan-2-yl-N'-[(propan-2-ylamino)methyl]methanediamine?
The IUPAC name of N'-methyl-N-propan-2-yl-N'-[(propan-2-ylamino)methyl]methanediamine (CID 122450469) is N'-methyl-N-propan-2-yl-N'-[(propan-2-ylamino)methyl]methanediamine.
What is the SMILES notation for N'-methyl-N-propan-2-yl-N'-[(propan-2-ylamino)methyl]methanediamine?
The canonical SMILES for N'-methyl-N-propan-2-yl-N'-[(propan-2-ylamino)methyl]methanediamine is CC(C)NCN(C)CNC(C)C.
What is the InChIKey of N'-methyl-N-propan-2-yl-N'-[(propan-2-ylamino)methyl]methanediamine?
The InChIKey is FJMHMVKYBCUNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-8(2)10-6-12(5)7-11-9(3)4/h8-11H,6-7H2,1-5H3.
What are the key properties of N'-methyl-N-propan-2-yl-N'-[(propan-2-ylamino)methyl]methanediamine?
N'-methyl-N-propan-2-yl-N'-[(propan-2-ylamino)methyl]methanediamine has a molecular weight of 173.30 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-propan-2-yl-N'-[(propan-2-ylamino)methyl]methanediamine is sourced from PubChem (CID 122450469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).