methane;1-methyl-N-propan-2-ylpiperidin-3-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine

C27H62N6 — CID 161122135

IUPACmethane;1-methyl-N-propan-2-ylpiperidin-3-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESC.CC(C)NC1CCCN(C)C1.CC(C)NC1CCN(C)C1.CC(C)NC1CCN(C)CC1
InChIInChI=1S/2C9H20N2.C8H18N2.CH4/c1-8(2)10-9-4-6-11(3)7-5-9;1-8(2)10-9-5-4-6-11(3)7-9;1-7(2)9-8-4-5-10(3)6-8;/h2*8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;1H4
InChIKeyULBZKDFNPZAADE-UHFFFAOYSA-N
MW470.84 g/mol
LogP3.48
Rot. Bonds6

About methane;1-methyl-N-propan-2-ylpiperidin-3-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine

methane;1-methyl-N-propan-2-ylpiperidin-3-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 161122135) has the molecular formula C27H62N6 and a molecular weight of 470.84 g/mol. Its IUPAC name is methane;1-methyl-N-propan-2-ylpiperidin-3-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Namemethane;1-methyl-N-propan-2-ylpiperidin-3-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine
PubChem CID161122135
Molecular FormulaC27H62N6
Molecular Weight470.84 g/mol
Exact Mass470.50
IUPAC Namemethane;1-methyl-N-propan-2-ylpiperidin-3-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESC.CC(C)NC1CCCN(C)C1.CC(C)NC1CCN(C)C1.CC(C)NC1CCN(C)CC1
InChIInChI=1S/2C9H20N2.C8H18N2.CH4/c1-8(2)10-9-4-6-11(3)7-5-9;1-8(2)10-9-5-4-6-11(3)7-9;1-7(2)9-8-4-5-10(3)6-8;/h2*8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;1H4
InChIKeyULBZKDFNPZAADE-UHFFFAOYSA-N
XLogP3.48
TPSA45.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.84
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-N-propan-2-ylpiperidin-3-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of methane;1-methyl-N-propan-2-ylpiperidin-3-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine (CID 161122135) is methane;1-methyl-N-propan-2-ylpiperidin-3-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for methane;1-methyl-N-propan-2-ylpiperidin-3-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for methane;1-methyl-N-propan-2-ylpiperidin-3-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine is C.CC(C)NC1CCCN(C)C1.CC(C)NC1CCN(C)C1.CC(C)NC1CCN(C)CC1.
What is the InChIKey of methane;1-methyl-N-propan-2-ylpiperidin-3-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is ULBZKDFNPZAADE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H20N2.C8H18N2.CH4/c1-8(2)10-9-4-6-11(3)7-5-9;1-8(2)10-9-5-4-6-11(3)7-9;1-7(2)9-8-4-5-10(3)6-8;/h2*8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;1H4.
What are the key properties of methane;1-methyl-N-propan-2-ylpiperidin-3-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine?
methane;1-methyl-N-propan-2-ylpiperidin-3-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 470.84 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-N-propan-2-ylpiperidin-3-amine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 161122135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).