N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine

C11H25N3 — CID 60889308

IUPACN'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine
SMILESCC(C)N1CCC(NCCCN)CC1
InChIInChI=1S/C11H25N3/c1-10(2)14-8-4-11(5-9-14)13-7-3-6-12/h10-11,13H,3-9,12H2,1-2H3
InChIKeyFAHUILYRZMDXPP-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.80
Rot. Bonds5

About N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine

N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 60889308) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine
PubChem CID60889308
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine
SMILESCC(C)N1CCC(NCCCN)CC1
InChIInChI=1S/C11H25N3/c1-10(2)14-8-4-11(5-9-14)13-7-3-6-12/h10-11,13H,3-9,12H2,1-2H3
InChIKeyFAHUILYRZMDXPP-UHFFFAOYSA-N
XLogP0.80
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine
CID 61043784
4-[(1-propan-2-ylpiperidin-4-yl)amino]butan-1-ol
CID 106840759
N-(3-methoxypropyl)-1-propan-2-ylpiperidin-4-amine
CID 28673243
N-(3-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 28717328
N'-cyclopropylpropane-1,3-diamine
CID 44784906
N-octyl-1-propan-2-ylazepan-4-amine
CID 115566933
N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 62707679
N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 60693742
N',N'-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 16773593
1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 166963082
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile
CID 28728184

Frequently Asked Questions

What is the IUPAC name of N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine (CID 60889308) is N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine is CC(C)N1CCC(NCCCN)CC1.
What is the InChIKey of N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is FAHUILYRZMDXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-10(2)14-8-4-11(5-9-14)13-7-3-6-12/h10-11,13H,3-9,12H2,1-2H3.
What are the key properties of N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine?
N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 60889308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).