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

C16H35N3 — CID 55001386

IUPAC4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)CC(C)N(C)C1(CN)CCN(C(C)C)CC1
InChIInChI=1S/C16H35N3/c1-13(2)11-15(5)18(6)16(12-17)7-9-19(10-8-16)14(3)4/h13-15H,7-12,17H2,1-6H3
InChIKeyHRLVKOXZCQPWOW-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.55
Rot. Bonds6

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

4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 55001386) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine
PubChem CID55001386
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)CC(C)N(C)C1(CN)CCN(C(C)C)CC1
InChIInChI=1S/C16H35N3/c1-13(2)11-15(5)18(6)16(12-17)7-9-19(10-8-16)14(3)4/h13-15H,7-12,17H2,1-6H3
InChIKeyHRLVKOXZCQPWOW-UHFFFAOYSA-N
XLogP2.55
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine (CID 55001386) is 4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine is CC(C)CC(C)N(C)C1(CN)CCN(C(C)C)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is HRLVKOXZCQPWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-13(2)11-15(5)18(6)16(12-17)7-9-19(10-8-16)14(3)4/h13-15H,7-12,17H2,1-6H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine?
4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 269.48 g/mol, XLogP of 2.55, 6 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-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 55001386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).