1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine

C16H35N3 — CID 55161282

IUPAC1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine
SMILESCCCNC(C)CCCCN(C)CCN1CCCC1
InChIInChI=1S/C16H35N3/c1-4-10-17-16(2)9-5-6-11-18(3)14-15-19-12-7-8-13-19/h16-17H,4-15H2,1-3H3
InChIKeyMATLCCOKRJHBGS-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.57
Rot. Bonds11

About 1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine

1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine (PubChem CID 55161282) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine.

Molecular Properties

Compound Name1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine
PubChem CID55161282
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine
SMILESCCCNC(C)CCCCN(C)CCN1CCCC1
InChIInChI=1S/C16H35N3/c1-4-10-17-16(2)9-5-6-11-18(3)14-15-19-12-7-8-13-19/h16-17H,4-15H2,1-3H3
InChIKeyMATLCCOKRJHBGS-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.57
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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Related Compounds

4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine
CID 63207050
N-[2-(azepan-1-yl)ethyl]heptan-2-amine
CID 61241150
4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol
CID 64897970
1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 104872007
2-N-methyl-1-N-pentan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 55163822
1-N-[3-(dimethylamino)propyl]-1-N-methyl-3-N-propylbutane-1,3-diamine
CID 63694168
2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol
CID 64791476
5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine
CID 107913763
4-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 115970429
5-[methyl(2-pyrrolidin-1-ylethyl)amino]pentanehydrazide
CID 63573579
3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 135182025
2-(ethylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
CID 64791268

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine?
The IUPAC name of 1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine (CID 55161282) is 1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine.
What is the SMILES notation for 1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine?
The canonical SMILES for 1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine is CCCNC(C)CCCCN(C)CCN1CCCC1.
What is the InChIKey of 1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine?
The InChIKey is MATLCCOKRJHBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-4-10-17-16(2)9-5-6-11-18(3)14-15-19-12-7-8-13-19/h16-17H,4-15H2,1-3H3.
What are the key properties of 1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine?
1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.57, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine is sourced from PubChem (CID 55161282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).