N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine

C13H29N3 — CID 62657185

IUPACN',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine
SMILESCN(C)CCCCNCC1CCCN(C)C1
InChIInChI=1S/C13H29N3/c1-15(2)9-5-4-8-14-11-13-7-6-10-16(3)12-13/h13-14H,4-12H2,1-3H3
InChIKeyDLCMVSYNVSNFKW-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds7

About N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine

N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine (PubChem CID 62657185) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine
PubChem CID62657185
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine
SMILESCN(C)CCCCNCC1CCCN(C)C1
InChIInChI=1S/C13H29N3/c1-15(2)9-5-4-8-14-11-13-7-6-10-16(3)12-13/h13-14H,4-12H2,1-3H3
InChIKeyDLCMVSYNVSNFKW-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 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 ≤ 51.26
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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Related Compounds

N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine
CID 55099792
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 115215684
N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine
CID 62655954
1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine
CID 115203898
N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007547
N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032158
N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62656970
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide
CID 63892274
1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine
CID 62658319
N-[(1-methylpiperidin-3-yl)methyl]pent-3-yn-1-amine
CID 104806624
N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173706

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine (CID 62657185) is N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine is CN(C)CCCCNCC1CCCN(C)C1.
What is the InChIKey of N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine?
The InChIKey is DLCMVSYNVSNFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-15(2)9-5-4-8-14-11-13-7-6-10-16(3)12-13/h13-14H,4-12H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine?
N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 7 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-methylpiperidin-3-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 62657185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).