N'-[(aminomethylamino)methyl]methanediamine;1-methoxy-N,2,2,6,6-pentamethylpiperidin-4-amine

C14H36N6O — CID 159271519

IUPACN'-[(aminomethylamino)methyl]methanediamine;1-methoxy-N,2,2,6,6-pentamethylpiperidin-4-amine
SMILESCNC1CC(C)(C)N(OC)C(C)(C)C1.NCNCNCN
InChIInChI=1S/C11H24N2O.C3H12N4/c1-10(2)7-9(12-5)8-11(3,4)13(10)14-6;4-1-6-3-7-2-5/h9,12H,7-8H2,1-6H3;6-7H,1-5H2
InChIKeyKXTSZFPCKCSQIO-UHFFFAOYSA-N
MW304.48 g/mol
LogP-0.26
Rot. Bonds6

About N'-[(aminomethylamino)methyl]methanediamine;1-methoxy-N,2,2,6,6-pentamethylpiperidin-4-amine

N'-[(aminomethylamino)methyl]methanediamine;1-methoxy-N,2,2,6,6-pentamethylpiperidin-4-amine (PubChem CID 159271519) has the molecular formula C14H36N6O and a molecular weight of 304.48 g/mol. Its IUPAC name is N'-[(aminomethylamino)methyl]methanediamine;1-methoxy-N,2,2,6,6-pentamethylpiperidin-4-amine.

Molecular Properties

Compound NameN'-[(aminomethylamino)methyl]methanediamine;1-methoxy-N,2,2,6,6-pentamethylpiperidin-4-amine
PubChem CID159271519
Molecular FormulaC14H36N6O
Molecular Weight304.48 g/mol
Exact Mass304.30
IUPAC NameN'-[(aminomethylamino)methyl]methanediamine;1-methoxy-N,2,2,6,6-pentamethylpiperidin-4-amine
SMILESCNC1CC(C)(C)N(OC)C(C)(C)C1.NCNCNCN
InChIInChI=1S/C11H24N2O.C3H12N4/c1-10(2)7-9(12-5)8-11(3,4)13(10)14-6;4-1-6-3-7-2-5/h9,12H,7-8H2,1-6H3;6-7H,1-5H2
InChIKeyKXTSZFPCKCSQIO-UHFFFAOYSA-N
XLogP-0.26
TPSA100.60 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 5-0.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-[(aminomethylamino)methyl]methanediamine;1-methoxy-N,2,2,6,6-pentamethylpiperidin-4-amine?
The IUPAC name of N'-[(aminomethylamino)methyl]methanediamine;1-methoxy-N,2,2,6,6-pentamethylpiperidin-4-amine (CID 159271519) is N'-[(aminomethylamino)methyl]methanediamine;1-methoxy-N,2,2,6,6-pentamethylpiperidin-4-amine.
What is the SMILES notation for N'-[(aminomethylamino)methyl]methanediamine;1-methoxy-N,2,2,6,6-pentamethylpiperidin-4-amine?
The canonical SMILES for N'-[(aminomethylamino)methyl]methanediamine;1-methoxy-N,2,2,6,6-pentamethylpiperidin-4-amine is CNC1CC(C)(C)N(OC)C(C)(C)C1.NCNCNCN.
What is the InChIKey of N'-[(aminomethylamino)methyl]methanediamine;1-methoxy-N,2,2,6,6-pentamethylpiperidin-4-amine?
The InChIKey is KXTSZFPCKCSQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.C3H12N4/c1-10(2)7-9(12-5)8-11(3,4)13(10)14-6;4-1-6-3-7-2-5/h9,12H,7-8H2,1-6H3;6-7H,1-5H2.
What are the key properties of N'-[(aminomethylamino)methyl]methanediamine;1-methoxy-N,2,2,6,6-pentamethylpiperidin-4-amine?
N'-[(aminomethylamino)methyl]methanediamine;1-methoxy-N,2,2,6,6-pentamethylpiperidin-4-amine has a molecular weight of 304.48 g/mol, XLogP of -0.26, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(aminomethylamino)methyl]methanediamine;1-methoxy-N,2,2,6,6-pentamethylpiperidin-4-amine is sourced from PubChem (CID 159271519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).