N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine

C14H26N2 — CID 79715152

IUPACN-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCC(C1CC1)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C14H26N2/c1-11(13-2-3-13)16(14-4-5-14)10-12-6-8-15-9-7-12/h11-15H,2-10H2,1H3
InChIKeyAFNZHKSFAWKEKD-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds5

About N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine

N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine (PubChem CID 79715152) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
PubChem CID79715152
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCC(C1CC1)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C14H26N2/c1-11(13-2-3-13)16(14-4-5-14)10-12-6-8-15-9-7-12/h11-15H,2-10H2,1H3
InChIKeyAFNZHKSFAWKEKD-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine (CID 79715152) is N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine is CC(C1CC1)N(CC1CCNCC1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
The InChIKey is AFNZHKSFAWKEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(13-2-3-13)16(14-4-5-14)10-12-6-8-15-9-7-12/h11-15H,2-10H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine has a molecular weight of 222.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 79715152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).