5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine

C16H34N2 — CID 113418984

IUPAC5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCN1CCC(C(C)(C)C)C1
InChIInChI=1S/C16H34N2/c1-14(2)17-10-7-6-8-11-18-12-9-15(13-18)16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeyOUINWAXGOJARQV-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds7

About 5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine

5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine (PubChem CID 113418984) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
PubChem CID113418984
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCN1CCC(C(C)(C)C)C1
InChIInChI=1S/C16H34N2/c1-14(2)17-10-7-6-8-11-18-12-9-15(13-18)16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeyOUINWAXGOJARQV-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 113417212
7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine
CID 166564865
1-(3-tert-butylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 113417353
4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine
CID 62084191
3-tert-butyl-1-(8,8-dimethylnonyl)piperidine
CID 152833336
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62438503
1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 62086138
3-(4-methylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 28679951
N-propan-2-yl-4-thiomorpholin-4-ylbutan-1-amine
CID 60851852
5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106806468
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine
CID 55089717
1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol
CID 106837078

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine (CID 113418984) is 5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine is CC(C)NCCCCCN1CCC(C(C)(C)C)C1.
What is the InChIKey of 5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine?
The InChIKey is OUINWAXGOJARQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-14(2)17-10-7-6-8-11-18-12-9-15(13-18)16(3,4)5/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine?
5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 113418984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).