N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine

C12H26N2 — CID 115209057

IUPACN,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine
SMILESCC(C)CCCN(C)CC1CCNC1
InChIInChI=1S/C12H26N2/c1-11(2)5-4-8-14(3)10-12-6-7-13-9-12/h11-13H,4-10H2,1-3H3
InChIKeyWYRAEUFEBMQVDF-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds6

About N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine

N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine (PubChem CID 115209057) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine
PubChem CID115209057
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine
SMILESCC(C)CCCN(C)CC1CCNC1
InChIInChI=1S/C12H26N2/c1-11(2)5-4-8-14(3)10-12-6-7-13-9-12/h11-13H,4-10H2,1-3H3
InChIKeyWYRAEUFEBMQVDF-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

(1-Butylpyrrolidin-3-yl)methanamine
CID 24275255
2-[3-(Aminomethyl)-1-pyrrolidinyl]-N,N-dimethylethanamine
CID 24696719
(1-(Butan-2-yl)pyrrolidin-3-yl)methanamine
CID 17389968
N,N-Dimethyl-1-(pyrrolidin-3-yl)methanamine
CID 14086165
(1-(Propan-2-yl)pyrrolidin-3-yl)methanamine
CID 21978903
(1-Tert-butylpyrrolidin-3-yl)methanamine
CID 24275282
(1-Ethylpyrrolidin-3-yl)methanamine
CID 15028164
3-(Pyrrolidin-1-ylmethyl)piperidine
CID 4341894
3-Butylpyrrolidine
CID 17389761
N,N-Diethyl-3-pyrrolidinemethanamine
CID 14075474
Methyl[(1-methylpyrrolidin-3-yl)methyl]amine
CID 15021556
Methyl((1-methylpiperidin-3-yl)methyl)amine
CID 16640588

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine?
The IUPAC name of N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine (CID 115209057) is N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine.
What is the SMILES notation for N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine?
The canonical SMILES for N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine is CC(C)CCCN(C)CC1CCNC1.
What is the InChIKey of N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine?
The InChIKey is WYRAEUFEBMQVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2)5-4-8-14(3)10-12-6-7-13-9-12/h11-13H,4-10H2,1-3H3.
What are the key properties of N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine?
N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine is sourced from PubChem (CID 115209057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).