N,N,4-trimethyl-1-pyrrolidin-3-ylpentan-2-amine

C12H26N2 — CID 116906708

IUPACN,N,4-trimethyl-1-pyrrolidin-3-ylpentan-2-amine
SMILESCC(C)CC(CC1CCNC1)N(C)C
InChIInChI=1S/C12H26N2/c1-10(2)7-12(14(3)4)8-11-5-6-13-9-11/h10-13H,5-9H2,1-4H3
InChIKeyKAXBBCAWSQEEDO-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds5

About N,N,4-trimethyl-1-pyrrolidin-3-ylpentan-2-amine

N,N,4-trimethyl-1-pyrrolidin-3-ylpentan-2-amine (PubChem CID 116906708) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N,N,4-trimethyl-1-pyrrolidin-3-ylpentan-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-pyrrolidin-3-ylpentan-2-amine
PubChem CID116906708
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN,N,4-trimethyl-1-pyrrolidin-3-ylpentan-2-amine
SMILESCC(C)CC(CC1CCNC1)N(C)C
InChIInChI=1S/C12H26N2/c1-10(2)7-12(14(3)4)8-11-5-6-13-9-11/h10-13H,5-9H2,1-4H3
InChIKeyKAXBBCAWSQEEDO-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-1-pyrrolidin-3-ylpropan-2-amine
CID 105441385
N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine
CID 116906639
N-[2-(dimethylamino)-4-methylpentyl]-2-piperidin-4-ylacetamide
CID 61274494
N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116906713
N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine
CID 115209057
N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride
CID 23145859
1-(1-pyrrolidin-3-ylpropan-2-yl)pyrrolidine
CID 105440316
3-(2-methylpropyl)azecane
CID 91499893
3-(2-methylpropyl)-azacyclododecane
CID 18705357
(3R)-N-[2-(dimethylamino)-4-methylpentyl]piperidine-3-carboxamide
CID 81141730
(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
CID 86324114
3-[(2R)-2-ethylbut-3-enyl]pyrrolidine
CID 155323727

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-pyrrolidin-3-ylpentan-2-amine?
The IUPAC name of N,N,4-trimethyl-1-pyrrolidin-3-ylpentan-2-amine (CID 116906708) is N,N,4-trimethyl-1-pyrrolidin-3-ylpentan-2-amine.
What is the SMILES notation for N,N,4-trimethyl-1-pyrrolidin-3-ylpentan-2-amine?
The canonical SMILES for N,N,4-trimethyl-1-pyrrolidin-3-ylpentan-2-amine is CC(C)CC(CC1CCNC1)N(C)C.
What is the InChIKey of N,N,4-trimethyl-1-pyrrolidin-3-ylpentan-2-amine?
The InChIKey is KAXBBCAWSQEEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)7-12(14(3)4)8-11-5-6-13-9-11/h10-13H,5-9H2,1-4H3.
What are the key properties of N,N,4-trimethyl-1-pyrrolidin-3-ylpentan-2-amine?
N,N,4-trimethyl-1-pyrrolidin-3-ylpentan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-pyrrolidin-3-ylpentan-2-amine is sourced from PubChem (CID 116906708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).