N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine

C14H31N3 — CID 142367999

IUPACN-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine
SMILESCC(C)CCNCCCNCC1CCNCC1
InChIInChI=1S/C14H31N3/c1-13(2)4-9-15-7-3-8-17-12-14-5-10-16-11-6-14/h13-17H,3-12H2,1-2H3
InChIKeyAOSYXOZYZPJRIY-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.60
Rot. Bonds9

About N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine

N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine (PubChem CID 142367999) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine
PubChem CID142367999
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine
SMILESCC(C)CCNCCCNCC1CCNCC1
InChIInChI=1S/C14H31N3/c1-13(2)4-9-15-7-3-8-17-12-14-5-10-16-11-6-14/h13-17H,3-12H2,1-2H3
InChIKeyAOSYXOZYZPJRIY-UHFFFAOYSA-N
XLogP1.60
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine
CID 115325962
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride
CID 11696932
N-(piperidin-4-ylmethyl)-2-propan-2-yloxyethanamine
CID 104759387
4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine
CID 115210839
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine
CID 115326036
N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 83962890
N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79698915
4-methyl-N-(piperidin-4-ylmethyl)pentanamide
CID 28779882
tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate
CID 107246993

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine (CID 142367999) is N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine is CC(C)CCNCCCNCC1CCNCC1.
What is the InChIKey of N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is AOSYXOZYZPJRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(2)4-9-15-7-3-8-17-12-14-5-10-16-11-6-14/h13-17H,3-12H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine?
N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.60, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 142367999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).