N-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine

C11H27N3 — CID 166866931

IUPACN-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine
SMILESCNCC(CNC(C)C)CNC(C)C
InChIInChI=1S/C11H27N3/c1-9(2)13-7-11(6-12-5)8-14-10(3)4/h9-14H,6-8H2,1-5H3
InChIKeyLHYXORBQHKZPGG-UHFFFAOYSA-N
MW201.36 g/mol
LogP0.82
Rot. Bonds8

About N-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine

N-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine (PubChem CID 166866931) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine
PubChem CID166866931
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine
SMILESCNCC(CNC(C)C)CNC(C)C
InChIInChI=1S/C11H27N3/c1-9(2)13-7-11(6-12-5)8-14-10(3)4/h9-14H,6-8H2,1-5H3
InChIKeyLHYXORBQHKZPGG-UHFFFAOYSA-N
XLogP0.82
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine?
The IUPAC name of N-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine (CID 166866931) is N-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine is CNCC(CNC(C)C)CNC(C)C.
What is the InChIKey of N-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine?
The InChIKey is LHYXORBQHKZPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-9(2)13-7-11(6-12-5)8-14-10(3)4/h9-14H,6-8H2,1-5H3.
What are the key properties of N-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine?
N-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine has a molecular weight of 201.36 g/mol, XLogP of 0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine is sourced from PubChem (CID 166866931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).