3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine

C13H29N3 — CID 65227933

IUPAC3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine
SMILESCC(C)C(CN)CN1CCN(C(C)C)CC1
InChIInChI=1S/C13H29N3/c1-11(2)13(9-14)10-15-5-7-16(8-6-15)12(3)4/h11-13H,5-10,14H2,1-4H3
InChIKeyMNVQIPSAWHMMBA-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.24
Rot. Bonds5

About 3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine

3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine (PubChem CID 65227933) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine
PubChem CID65227933
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine
SMILESCC(C)C(CN)CN1CCN(C(C)C)CC1
InChIInChI=1S/C13H29N3/c1-11(2)13(9-14)10-15-5-7-16(8-6-15)12(3)4/h11-13H,5-10,14H2,1-4H3
InChIKeyMNVQIPSAWHMMBA-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine
CID 65227874
3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
CID 65233064
1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine
CID 65227991
2-[(4-ethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine
CID 65233237
ethyl 4-[2-(aminomethyl)-3-methylbutyl]piperazine-1-carboxylate
CID 107877808
3-methyl-2-(1,4-thiazepan-4-ylmethyl)butan-1-amine
CID 65233118
[1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol
CID 107443355
4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
CID 104681883
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine
CID 65233248
1-(2-methylpropyl)-4-(4-propan-2-ylpiperazin-1-yl)piperazine
CID 175833025
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-3-methylbutan-1-amine
CID 79935214
4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
CID 43585175

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine?
The IUPAC name of 3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine (CID 65227933) is 3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine is CC(C)C(CN)CN1CCN(C(C)C)CC1.
What is the InChIKey of 3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine?
The InChIKey is MNVQIPSAWHMMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-11(2)13(9-14)10-15-5-7-16(8-6-15)12(3)4/h11-13H,5-10,14H2,1-4H3.
What are the key properties of 3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine?
3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 65227933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).