N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine

C13H29N3 — CID 5149120

IUPACN',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
SMILESCC1CN(C)C(C)CC1NCCCN(C)C
InChIInChI=1S/C13H29N3/c1-11-10-16(5)12(2)9-13(11)14-7-6-8-15(3)4/h11-14H,6-10H2,1-5H3
InChIKeyZFMHJCHHDNGZAM-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds5

About N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine

N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 5149120) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
PubChem CID5149120
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
SMILESCC1CN(C)C(C)CC1NCCCN(C)C
InChIInChI=1S/C13H29N3/c1-11-10-16(5)12(2)9-13(11)14-7-6-8-15(3)4/h11-14H,6-10H2,1-5H3
InChIKeyZFMHJCHHDNGZAM-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine (CID 5149120) is N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine is CC1CN(C)C(C)CC1NCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is ZFMHJCHHDNGZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-11-10-16(5)12(2)9-13(11)14-7-6-8-15(3)4/h11-14H,6-10H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 5149120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).