N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine

C14H32N4 — CID 81469273

IUPACN-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCC1CN(CCNCCCN(C)C)CC1N(C)C
InChIInChI=1S/C14H32N4/c1-13-11-18(12-14(13)17(4)5)10-8-15-7-6-9-16(2)3/h13-15H,6-12H2,1-5H3
InChIKeyKUEDAKLIYBYFLK-UHFFFAOYSA-N
MW256.44 g/mol
LogP0.41
Rot. Bonds8

About N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine

N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 81469273) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID81469273
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC NameN-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCC1CN(CCNCCCN(C)C)CC1N(C)C
InChIInChI=1S/C14H32N4/c1-13-11-18(12-14(13)17(4)5)10-8-15-7-6-9-16(2)3/h13-15H,6-12H2,1-5H3
InChIKeyKUEDAKLIYBYFLK-UHFFFAOYSA-N
XLogP0.41
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine (CID 81469273) is N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine is CC1CN(CCNCCCN(C)C)CC1N(C)C.
What is the InChIKey of N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is KUEDAKLIYBYFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-13-11-18(12-14(13)17(4)5)10-8-15-7-6-9-16(2)3/h13-15H,6-12H2,1-5H3.
What are the key properties of N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine?
N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 256.44 g/mol, XLogP of 0.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 81469273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).