(3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine

C17H29N3 — CID 139363260

IUPAC(3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine
SMILESCC(C)Cc1ccc(N2CC[C@@H](NC(C)(C)C)C2)cn1
InChIInChI=1S/C17H29N3/c1-13(2)10-14-6-7-16(11-18-14)20-9-8-15(12-20)19-17(3,4)5/h6-7,11,13,15,19H,8-10,12H2,1-5H3/t15-/m1/s1
InChIKeyCZDTZMDSSVMATM-OAHLLOKOSA-N
MW275.44 g/mol
LogP3.25
Rot. Bonds4

About (3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine

(3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine (PubChem CID 139363260) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is (3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine
PubChem CID139363260
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name(3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine
SMILESCC(C)Cc1ccc(N2CC[C@@H](NC(C)(C)C)C2)cn1
InChIInChI=1S/C17H29N3/c1-13(2)10-14-6-7-16(11-18-14)20-9-8-15(12-20)19-17(3,4)5/h6-7,11,13,15,19H,8-10,12H2,1-5H3/t15-/m1/s1
InChIKeyCZDTZMDSSVMATM-OAHLLOKOSA-N
XLogP3.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine (CID 139363260) is (3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine is CC(C)Cc1ccc(N2CC[C@@H](NC(C)(C)C)C2)cn1.
What is the InChIKey of (3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine?
The InChIKey is CZDTZMDSSVMATM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(2)10-14-6-7-16(11-18-14)20-9-8-15(12-20)19-17(3,4)5/h6-7,11,13,15,19H,8-10,12H2,1-5H3/t15-/m1/s1.
What are the key properties of (3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine?
(3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine has a molecular weight of 275.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine is sourced from PubChem (CID 139363260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).