1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]piperidin-4-amine

C13H27N3 — CID 79327460

IUPAC1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]piperidin-4-amine
SMILESCC1CC1CN(C)CCN1CCC(N)CC1
InChIInChI=1S/C13H27N3/c1-11-9-12(11)10-15(2)7-8-16-5-3-13(14)4-6-16/h11-13H,3-10,14H2,1-2H3
InChIKeyMYZWNQWTTNIWHH-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.00
Rot. Bonds5

About 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]piperidin-4-amine

1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]piperidin-4-amine (PubChem CID 79327460) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]piperidin-4-amine
PubChem CID79327460
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]piperidin-4-amine
SMILESCC1CC1CN(C)CCN1CCC(N)CC1
InChIInChI=1S/C13H27N3/c1-11-9-12(11)10-15(2)7-8-16-5-3-13(14)4-6-16/h11-13H,3-10,14H2,1-2H3
InChIKeyMYZWNQWTTNIWHH-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]piperidin-4-amine (CID 79327460) is 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]piperidin-4-amine is CC1CC1CN(C)CCN1CCC(N)CC1.
What is the InChIKey of 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]piperidin-4-amine?
The InChIKey is MYZWNQWTTNIWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11-9-12(11)10-15(2)7-8-16-5-3-13(14)4-6-16/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]piperidin-4-amine?
1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]piperidin-4-amine has a molecular weight of 225.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]piperidin-4-amine is sourced from PubChem (CID 79327460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).