N-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine

C14H29N3 — CID 114540197

IUPACN-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine
SMILESCC1CN(CCCCNC2CC2)CC(C)N1C
InChIInChI=1S/C14H29N3/c1-12-10-17(11-13(2)16(12)3)9-5-4-8-15-14-6-7-14/h12-15H,4-11H2,1-3H3
InChIKeyNVGWHUMSQPNQPD-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds6

About N-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine

N-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine (PubChem CID 114540197) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine
PubChem CID114540197
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine
SMILESCC1CN(CCCCNC2CC2)CC(C)N1C
InChIInChI=1S/C14H29N3/c1-12-10-17(11-13(2)16(12)3)9-5-4-8-15-14-6-7-14/h12-15H,4-11H2,1-3H3
InChIKeyNVGWHUMSQPNQPD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 79184231
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine
CID 104960941
N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine
CID 62424326
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436
N-[4-(4-ethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62412900
N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine
CID 103539769
4-butyl-1,2,6-trimethylpiperazine
CID 126991132
N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine
CID 62422445
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclopropanamine
CID 60868216
N-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 63619488
N-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine
CID 83221067

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine (CID 114540197) is N-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine is CC1CN(CCCCNC2CC2)CC(C)N1C.
What is the InChIKey of N-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine?
The InChIKey is NVGWHUMSQPNQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12-10-17(11-13(2)16(12)3)9-5-4-8-15-14-6-7-14/h12-15H,4-11H2,1-3H3.
What are the key properties of N-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine?
N-[4-(3,4,5-trimethylpiperazin-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-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 114540197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).