2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine

C16H33N3 — CID 106708095

IUPAC2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine
SMILESCC(C)(CN)CCCCN1CCC(N2CCCC2)C1
InChIInChI=1S/C16H33N3/c1-16(2,14-17)8-3-4-9-18-12-7-15(13-18)19-10-5-6-11-19/h15H,3-14,17H2,1-2H3
InChIKeyOEMDGZMPRPEVSI-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds7

About 2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine

2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine (PubChem CID 106708095) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine
PubChem CID106708095
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine
SMILESCC(C)(CN)CCCCN1CCC(N2CCCC2)C1
InChIInChI=1S/C16H33N3/c1-16(2,14-17)8-3-4-9-18-12-7-15(13-18)19-10-5-6-11-19/h15H,3-14,17H2,1-2H3
InChIKeyOEMDGZMPRPEVSI-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol
CID 64820276
2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63171282
2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 55159526
1-(6-amino-5,5-dimethylhexyl)-3-methylpiperidin-4-ol
CID 106708252
1-(6-amino-5,5-dimethylhexyl)piperidine-3-carboxamide
CID 106707851
2-methyl-2-(methylamino)-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexanenitrile
CID 63165853
2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine
CID 106708126
N-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63166994
6-(4-ethylpiperidin-1-yl)-2,2-dimethylhexan-1-amine
CID 106707970
2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide
CID 79934820
5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 63169480
2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol
CID 64792489

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine (CID 106708095) is 2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine is CC(C)(CN)CCCCN1CCC(N2CCCC2)C1.
What is the InChIKey of 2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine?
The InChIKey is OEMDGZMPRPEVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-16(2,14-17)8-3-4-9-18-12-7-15(13-18)19-10-5-6-11-19/h15H,3-14,17H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine?
2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine is sourced from PubChem (CID 106708095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).