N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine

C16H33N3 — CID 114539578

IUPACN-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C16H33N3/c1-6-16(4,11-17-15-7-8-15)12-19-9-13(2)18(5)14(3)10-19/h13-15,17H,6-12H2,1-5H3
InChIKeyOMOWRLUNXUXZGT-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds6

About N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine

N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine (PubChem CID 114539578) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine
PubChem CID114539578
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C16H33N3/c1-6-16(4,11-17-15-7-8-15)12-19-9-13(2)18(5)14(3)10-19/h13-15,17H,6-12H2,1-5H3
InChIKeyOMOWRLUNXUXZGT-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474785
N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine
CID 62262258
1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol
CID 62943597
N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine
CID 62262514
N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 65281916
N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine
CID 62272802
N-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine
CID 114539716
N-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 62259162
N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539596
N-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine
CID 114540197
8-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55237613
2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
CID 114539436

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine (CID 114539578) is N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine is CCC(C)(CNC1CC1)CN1CC(C)N(C)C(C)C1.
What is the InChIKey of N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine?
The InChIKey is OMOWRLUNXUXZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-6-16(4,11-17-15-7-8-15)12-19-9-13(2)18(5)14(3)10-19/h13-15,17H,6-12H2,1-5H3.
What are the key properties of N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine?
N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine is sourced from PubChem (CID 114539578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).