N-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine

C14H29N3 — CID 55215454

IUPACN-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine
SMILESCCN1CCN(C(C)CCNC2CC2)CC1C
InChIInChI=1S/C14H29N3/c1-4-16-9-10-17(11-13(16)3)12(2)7-8-15-14-5-6-14/h12-15H,4-11H2,1-3H3
InChIKeyDTALLRVWVAJCQA-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds6

About N-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine

N-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine (PubChem CID 55215454) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine
PubChem CID55215454
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine
SMILESCCN1CCN(C(C)CCNC2CC2)CC1C
InChIInChI=1S/C14H29N3/c1-4-16-9-10-17(11-13(16)3)12(2)7-8-15-14-5-6-14/h12-15H,4-11H2,1-3H3
InChIKeyDTALLRVWVAJCQA-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine
CID 79183577
N-[3-(2-methylmorpholin-4-yl)butyl]cyclopropanamine
CID 62439473
N-[2-(4-ethyl-3-methylpiperazin-1-yl)propyl]pentan-2-amine
CID 63621701
2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63619316
N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62424497
N-[4-(4-ethylpiperazin-1-yl)pentyl]cyclopropanamine
CID 62418577
N-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 63619488
3-(3,4-dimethylpiperazin-1-yl)-N-ethylbutan-1-amine
CID 63621653
N-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butyl]cyclopropanamine
CID 79946109
N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425823
N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine
CID 62437779
N-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine
CID 56828316

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine (CID 55215454) is N-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine is CCN1CCN(C(C)CCNC2CC2)CC1C.
What is the InChIKey of N-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine?
The InChIKey is DTALLRVWVAJCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-16-9-10-17(11-13(16)3)12(2)7-8-15-14-5-6-14/h12-15H,4-11H2,1-3H3.
What are the key properties of N-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine?
N-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 55215454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).