2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine

C13H28N2 — CID 62257595

IUPAC2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)CN1CCC(C)C1
InChIInChI=1S/C13H28N2/c1-5-7-14-10-13(3,4)11-15-8-6-12(2)9-15/h12,14H,5-11H2,1-4H3
InChIKeyNJWOTVCNAWZOJT-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds6

About 2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine

2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine (PubChem CID 62257595) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
PubChem CID62257595
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)CN1CCC(C)C1
InChIInChI=1S/C13H28N2/c1-5-7-14-10-13(3,4)11-15-8-6-12(2)9-15/h12,14H,5-11H2,1-4H3
InChIKeyNJWOTVCNAWZOJT-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
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

N,2,2-trimethyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62257427
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-methylpropyl)propan-1-amine
CID 62263553
N-tert-butyl-2,2-dimethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62263552
N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine
CID 62257771
2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal
CID 62278121
3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol
CID 114681883
N-[2,2-dimethyl-3-(3-methylpiperidin-1-yl)propyl]cyclopropanamine
CID 62263551
3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 63159863
1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol
CID 55131551
2-methyl-1-(3-methylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 66335003
1-[2-ethyl-2-(propylaminomethyl)butyl]-4-methylpiperidin-3-ol
CID 102966934
1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol
CID 114681903

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine (CID 62257595) is 2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine is CCCNCC(C)(C)CN1CCC(C)C1.
What is the InChIKey of 2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The InChIKey is NJWOTVCNAWZOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-7-14-10-13(3,4)11-15-8-6-12(2)9-15/h12,14H,5-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine?
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 62257595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).