N,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine

C17H36N2 — CID 137379854

IUPACN,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine
SMILESCCCCCC(C)(CC)N1CCC(N(CC)CC)C1
InChIInChI=1S/C17H36N2/c1-6-10-11-13-17(5,7-2)19-14-12-16(15-19)18(8-3)9-4/h16H,6-15H2,1-5H3
InChIKeyWPQLSPHPWDVWCD-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.15
Rot. Bonds9

About N,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine

N,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine (PubChem CID 137379854) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine
PubChem CID137379854
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine
SMILESCCCCCC(C)(CC)N1CCC(N(CC)CC)C1
InChIInChI=1S/C17H36N2/c1-6-10-11-13-17(5,7-2)19-14-12-16(15-19)18(8-3)9-4/h16H,6-15H2,1-5H3
InChIKeyWPQLSPHPWDVWCD-UHFFFAOYSA-N
XLogP4.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine
CID 129088258
1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine
CID 116535297
(3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine
CID 139373164
1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine
CID 80557428
1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine
CID 113493213
4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide
CID 138503013
4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine
CID 130337153
2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
CID 103531540
1-(7-methyltridecan-7-yl)pyrrolidine-3-carboxylic acid
CID 138747066
1-(7-methyltetradecan-7-yl)piperidin-3-amine
CID 126486331
1-(3-methylheptan-3-yl)piperidine
CID 154999026
N-butyl-1-tert-butyl-N-ethylazetidin-3-amine
CID 170254720

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine (CID 137379854) is N,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine is CCCCCC(C)(CC)N1CCC(N(CC)CC)C1.
What is the InChIKey of N,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine?
The InChIKey is WPQLSPHPWDVWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-10-11-13-17(5,7-2)19-14-12-16(15-19)18(8-3)9-4/h16H,6-15H2,1-5H3.
What are the key properties of N,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine?
N,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine has a molecular weight of 268.49 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 137379854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).