(3S,5R)-5-[3-[(2R)-4-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyrrolidin-1-yl]-2-methylpropyl]pyrrolidin-3-amine

C19H40N4 — CID 137447231

IUPAC(3S,5R)-5-[3-[(2R)-4-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyrrolidin-1-yl]-2-methylpropyl]pyrrolidin-3-amine
SMILESCC(C)C[C@@H]1CC(C(C)(C)N)CN1CC(C)C[C@@H]1C[C@H](N)CN1
InChIInChI=1S/C19H40N4/c1-13(2)6-18-8-15(19(4,5)21)12-23(18)11-14(3)7-17-9-16(20)10-22-17/h13-18,22H,6-12,20-21H2,1-5H3/t14?,15?,16-,17+,18+/m0/s1
InChIKeyBOGKSKXQEKZQRH-YXYCDRMUSA-N
MW324.56 g/mol
LogP2.18
Rot. Bonds7

About (3S,5R)-5-[3-[(2R)-4-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyrrolidin-1-yl]-2-methylpropyl]pyrrolidin-3-amine

(3S,5R)-5-[3-[(2R)-4-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyrrolidin-1-yl]-2-methylpropyl]pyrrolidin-3-amine (PubChem CID 137447231) has the molecular formula C19H40N4 and a molecular weight of 324.56 g/mol. Its IUPAC name is (3S,5R)-5-[3-[(2R)-4-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyrrolidin-1-yl]-2-methylpropyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,5R)-5-[3-[(2R)-4-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyrrolidin-1-yl]-2-methylpropyl]pyrrolidin-3-amine
PubChem CID137447231
Molecular FormulaC19H40N4
Molecular Weight324.56 g/mol
Exact Mass324.33
IUPAC Name(3S,5R)-5-[3-[(2R)-4-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyrrolidin-1-yl]-2-methylpropyl]pyrrolidin-3-amine
SMILESCC(C)C[C@@H]1CC(C(C)(C)N)CN1CC(C)C[C@@H]1C[C@H](N)CN1
InChIInChI=1S/C19H40N4/c1-13(2)6-18-8-15(19(4,5)21)12-23(18)11-14(3)7-17-9-16(20)10-22-17/h13-18,22H,6-12,20-21H2,1-5H3/t14?,15?,16-,17+,18+/m0/s1
InChIKeyBOGKSKXQEKZQRH-YXYCDRMUSA-N
XLogP2.18
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[3-[(2R)-4-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyrrolidin-1-yl]-2-methylpropyl]pyrrolidin-3-amine?
The IUPAC name of (3S,5R)-5-[3-[(2R)-4-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyrrolidin-1-yl]-2-methylpropyl]pyrrolidin-3-amine (CID 137447231) is (3S,5R)-5-[3-[(2R)-4-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyrrolidin-1-yl]-2-methylpropyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S,5R)-5-[3-[(2R)-4-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyrrolidin-1-yl]-2-methylpropyl]pyrrolidin-3-amine?
The canonical SMILES for (3S,5R)-5-[3-[(2R)-4-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyrrolidin-1-yl]-2-methylpropyl]pyrrolidin-3-amine is CC(C)C[C@@H]1CC(C(C)(C)N)CN1CC(C)C[C@@H]1C[C@H](N)CN1.
What is the InChIKey of (3S,5R)-5-[3-[(2R)-4-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyrrolidin-1-yl]-2-methylpropyl]pyrrolidin-3-amine?
The InChIKey is BOGKSKXQEKZQRH-YXYCDRMUSA-N. The full InChI is InChI=1S/C19H40N4/c1-13(2)6-18-8-15(19(4,5)21)12-23(18)11-14(3)7-17-9-16(20)10-22-17/h13-18,22H,6-12,20-21H2,1-5H3/t14?,15?,16-,17+,18+/m0/s1.
What are the key properties of (3S,5R)-5-[3-[(2R)-4-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyrrolidin-1-yl]-2-methylpropyl]pyrrolidin-3-amine?
(3S,5R)-5-[3-[(2R)-4-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyrrolidin-1-yl]-2-methylpropyl]pyrrolidin-3-amine has a molecular weight of 324.56 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[3-[(2R)-4-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyrrolidin-1-yl]-2-methylpropyl]pyrrolidin-3-amine is sourced from PubChem (CID 137447231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).