4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine

C13H28N2 — CID 79540929

IUPAC4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine
SMILESCC(C)CCCNC(C)CC1CCCN1
InChIInChI=1S/C13H28N2/c1-11(2)6-4-8-14-12(3)10-13-7-5-9-15-13/h11-15H,4-10H2,1-3H3
InChIKeyWBRPTPQETDFZIR-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.54
Rot. Bonds7

About 4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine

4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine (PubChem CID 79540929) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine
PubChem CID79540929
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine
SMILESCC(C)CCCNC(C)CC1CCCN1
InChIInChI=1S/C13H28N2/c1-11(2)6-4-8-14-12(3)10-13-7-5-9-15-13/h11-15H,4-10H2,1-3H3
InChIKeyWBRPTPQETDFZIR-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79540795
N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541660
4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
CID 79541172
N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79540247
N-(2-cyclopropylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541627
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824
5-(1-piperidin-2-ylpropan-2-ylamino)pentan-1-ol
CID 107316724
N-(2-cyclopentyloxyethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79539845
N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541234
3,3,3-trifluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)propan-1-amine
CID 79539962
N',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79540106
3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
CID 79541025

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine?
The IUPAC name of 4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine (CID 79540929) is 4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine.
What is the SMILES notation for 4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine?
The canonical SMILES for 4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine is CC(C)CCCNC(C)CC1CCCN1.
What is the InChIKey of 4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine?
The InChIKey is WBRPTPQETDFZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)6-4-8-14-12(3)10-13-7-5-9-15-13/h11-15H,4-10H2,1-3H3.
What are the key properties of 4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine?
4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine is sourced from PubChem (CID 79540929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).