1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine

C13H29N3 — CID 106799840

IUPAC1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine
SMILESCCC(N)CCCN(C)CC1CCN(C)C1
InChIInChI=1S/C13H29N3/c1-4-13(14)6-5-8-15(2)10-12-7-9-16(3)11-12/h12-13H,4-11,14H2,1-3H3
InChIKeyUCGXRTWBCHADOQ-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds7

About 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine

1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine (PubChem CID 106799840) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine
PubChem CID106799840
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine
SMILESCCC(N)CCCN(C)CC1CCN(C)C1
InChIInChI=1S/C13H29N3/c1-4-13(14)6-5-8-15(2)10-12-7-9-16(3)11-12/h12-13H,4-11,14H2,1-3H3
InChIKeyUCGXRTWBCHADOQ-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]butane-1,4-diamine
CID 81079802
3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63274032
1-(1-methylpyrrolidin-3-yl)pentan-3-amine
CID 83980580
2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile
CID 63273995
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylpropane-1,3-diamine
CID 63275954
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylbutane-1,4-diamine
CID 63274674
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine
CID 63274496
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 55172392
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 63274728
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine?
The IUPAC name of 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine (CID 106799840) is 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine is CCC(N)CCCN(C)CC1CCN(C)C1.
What is the InChIKey of 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine?
The InChIKey is UCGXRTWBCHADOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-4-13(14)6-5-8-15(2)10-12-7-9-16(3)11-12/h12-13H,4-11,14H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine?
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine is sourced from PubChem (CID 106799840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).