4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine

C15H33N3 — CID 63982455

IUPAC4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine
SMILESCCC(C)(C)N(C)C1(CN)CCN(C(C)C)CC1
InChIInChI=1S/C15H33N3/c1-7-14(4,5)17(6)15(12-16)8-10-18(11-9-15)13(2)3/h13H,7-12,16H2,1-6H3
InChIKeyMSYKLHSXXWGZFR-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.31
Rot. Bonds5

About 4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine

4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 63982455) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine
PubChem CID63982455
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine
SMILESCCC(C)(C)N(C)C1(CN)CCN(C(C)C)CC1
InChIInChI=1S/C15H33N3/c1-7-14(4,5)17(6)15(12-16)8-10-18(11-9-15)13(2)3/h13H,7-12,16H2,1-6H3
InChIKeyMSYKLHSXXWGZFR-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine
CID 63983309
4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine
CID 24710650
4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 55001386
4-(aminomethyl)-N-methyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078410
4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine
CID 65078106
4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine
CID 65078658
4-(aminomethyl)-N-butyl-N-methyl-1-propan-2-ylazepan-4-amine
CID 65078409
3-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)thiolan-3-amine
CID 63983320
4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078360
3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 107869506
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 107397751
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65078649

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine (CID 63982455) is 4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine is CCC(C)(C)N(C)C1(CN)CCN(C(C)C)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is MSYKLHSXXWGZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-7-14(4,5)17(6)15(12-16)8-10-18(11-9-15)13(2)3/h13H,7-12,16H2,1-6H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine?
4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 255.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 63982455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).