2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine

C13H29N3 — CID 62433428

IUPAC2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCN1CCN(C(C)C)CC1
InChIInChI=1S/C13H29N3/c1-12(2)11-14-5-6-15-7-9-16(10-8-15)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyJUTVNFPAFSHXJD-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds6

About 2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine

2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine (PubChem CID 62433428) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine
PubChem CID62433428
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCN1CCN(C(C)C)CC1
InChIInChI=1S/C13H29N3/c1-12(2)11-14-5-6-15-7-9-16(10-8-15)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyJUTVNFPAFSHXJD-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
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-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine
CID 174276401
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine
CID 62463178
2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine
CID 62575111
N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine
CID 62411059
2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine
CID 103503235
5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62774852
2-methyl-N-[2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 62437822
1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 166963082
3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine
CID 61387216
2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine
CID 82888946
2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine (CID 62433428) is 2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine is CC(C)CNCCN1CCN(C(C)C)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine?
The InChIKey is JUTVNFPAFSHXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(2)11-14-5-6-15-7-9-16(10-8-15)13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine?
2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62433428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).