4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine

C16H34N2 — CID 113417228

IUPAC4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)N1CCC(C(C)(C)C)C1
InChIInChI=1S/C16H34N2/c1-7-9-17-13(2)11-14(3)18-10-8-15(12-18)16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyUKKXEIQLUCFHRM-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds6

About 4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine

4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine (PubChem CID 113417228) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine
PubChem CID113417228
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)N1CCC(C(C)(C)C)C1
InChIInChI=1S/C16H34N2/c1-7-9-17-13(2)11-14(3)18-10-8-15(12-18)16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyUKKXEIQLUCFHRM-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64706614
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine
CID 66391124
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-propylpentan-2-amine
CID 79932028
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine
CID 64706192
N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine
CID 62569931
4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-propylpentan-2-amine
CID 79931477
N-ethyl-4-(3-methylpiperidin-1-yl)pentan-2-amine
CID 64705920
4-cyclopropyl-N-propylpentan-2-amine
CID 64721662
4-cyclopropyl-N-propylbutan-2-amine
CID 64504498
4,5,5-trimethyl-N-propylhexan-2-amine
CID 64718550
6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine
CID 167270621
N-tert-butyl-2-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 83042494

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine?
The IUPAC name of 4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine (CID 113417228) is 4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine?
The canonical SMILES for 4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine is CCCNC(C)CC(C)N1CCC(C(C)(C)C)C1.
What is the InChIKey of 4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine?
The InChIKey is UKKXEIQLUCFHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-9-17-13(2)11-14(3)18-10-8-15(12-18)16(4,5)6/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine?
4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 113417228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).