1-[2-[cyclopropyl(3-methylbutyl)amino]ethyl]piperidin-4-amine

C15H31N3 — CID 79327916

IUPAC1-[2-[cyclopropyl(3-methylbutyl)amino]ethyl]piperidin-4-amine
SMILESCC(C)CCN(CCN1CCC(N)CC1)C1CC1
InChIInChI=1S/C15H31N3/c1-13(2)5-10-18(15-3-4-15)12-11-17-8-6-14(16)7-9-17/h13-15H,3-12,16H2,1-2H3
InChIKeyYFGVAZLXEHABEC-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds7

About 1-[2-[cyclopropyl(3-methylbutyl)amino]ethyl]piperidin-4-amine

1-[2-[cyclopropyl(3-methylbutyl)amino]ethyl]piperidin-4-amine (PubChem CID 79327916) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(3-methylbutyl)amino]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(3-methylbutyl)amino]ethyl]piperidin-4-amine
PubChem CID79327916
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-[2-[cyclopropyl(3-methylbutyl)amino]ethyl]piperidin-4-amine
SMILESCC(C)CCN(CCN1CCC(N)CC1)C1CC1
InChIInChI=1S/C15H31N3/c1-13(2)5-10-18(15-3-4-15)12-11-17-8-6-14(16)7-9-17/h13-15H,3-12,16H2,1-2H3
InChIKeyYFGVAZLXEHABEC-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]piperidin-4-amine
CID 79328373
1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine
CID 79328509
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78973832
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 82684072
N-[2-(4-aminopiperidin-1-yl)ethyl]-N,1-dimethylpiperidin-3-amine
CID 79327766
1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78974367
4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112208
N'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine
CID 139362561
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
1-[2-(dibutylamino)ethyl]piperidin-4-amine
CID 54459156
1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 78974349
2-(4-aminopiperidin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 43556882

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(3-methylbutyl)amino]ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-[cyclopropyl(3-methylbutyl)amino]ethyl]piperidin-4-amine (CID 79327916) is 1-[2-[cyclopropyl(3-methylbutyl)amino]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[cyclopropyl(3-methylbutyl)amino]ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[cyclopropyl(3-methylbutyl)amino]ethyl]piperidin-4-amine is CC(C)CCN(CCN1CCC(N)CC1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(3-methylbutyl)amino]ethyl]piperidin-4-amine?
The InChIKey is YFGVAZLXEHABEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(2)5-10-18(15-3-4-15)12-11-17-8-6-14(16)7-9-17/h13-15H,3-12,16H2,1-2H3.
What are the key properties of 1-[2-[cyclopropyl(3-methylbutyl)amino]ethyl]piperidin-4-amine?
1-[2-[cyclopropyl(3-methylbutyl)amino]ethyl]piperidin-4-amine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(3-methylbutyl)amino]ethyl]piperidin-4-amine is sourced from PubChem (CID 79327916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).