N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine

C17H30N4 — CID 106625018

IUPACN-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1C(C)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C17H30N4/c1-12-17(13(2)20(4)19-12)14(3)21(16-7-8-16)11-15-6-5-9-18-10-15/h14-16,18H,5-11H2,1-4H3
InChIKeyBLEIZVSYQXEMRW-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.56
Rot. Bonds5

About N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine

N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine (PubChem CID 106625018) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine
PubChem CID106625018
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC NameN-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1C(C)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C17H30N4/c1-12-17(13(2)20(4)19-12)14(3)21(16-7-8-16)11-15-6-5-9-18-10-15/h14-16,18H,5-11H2,1-4H3
InChIKeyBLEIZVSYQXEMRW-UHFFFAOYSA-N
XLogP2.56
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine
CID 79112754
N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624967
N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine
CID 106624840
N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 106602715
N-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624965
N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624899
4,4-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106624301
6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 106643837
N-cyclopropyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624960
N-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 106623523
3-ethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine
CID 106624200
2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55105252

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine (CID 106625018) is N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine is Cc1nn(C)c(C)c1C(C)N(CC1CCCNC1)C1CC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine?
The InChIKey is BLEIZVSYQXEMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-12-17(13(2)20(4)19-12)14(3)21(16-7-8-16)11-15-6-5-9-18-10-15/h14-16,18H,5-11H2,1-4H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine?
N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine has a molecular weight of 290.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 106625018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).