N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine

C14H30N2 — CID 102906426

IUPACN-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(CC(C(C)C)C(C)C)C1
InChIInChI=1S/C14H30N2/c1-11(2)14(12(3)4)10-16-7-6-13(9-16)8-15-5/h11-15H,6-10H2,1-5H3
InChIKeyFGSUFQFDWOYFRV-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.46
Rot. Bonds6

About N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine

N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine (PubChem CID 102906426) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine
PubChem CID102906426
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(CC(C(C)C)C(C)C)C1
InChIInChI=1S/C14H30N2/c1-11(2)14(12(3)4)10-16-7-6-13(9-16)8-15-5/h11-15H,6-10H2,1-5H3
InChIKeyFGSUFQFDWOYFRV-UHFFFAOYSA-N
XLogP2.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Butylpyrrolidin-3-yl)methanamine
CID 24275255
1-Methyl-4-(pyrrolidin-3-yl)piperidine
CID 64434666
N,N-Dimethyl-1-(pyrrolidin-3-yl)methanamine
CID 14086165
N,N-Diethyl-3-pyrrolidinemethanamine
CID 14075474
Methyl[(1-methylpyrrolidin-3-yl)methyl]amine
CID 15021556
[1-(2-Methylpropyl)pyrrolidin-3-yl]methanamine
CID 17998746
((1-Ethylpyrrolidin-3-yl)methyl)(methyl)amine
CID 17998752
2-(1-Methylpyrrolidin-3-yl)ethan-1-amine
CID 22022480
3-(2-Methylpropyl)pyrrolidine
CID 22975332
3-(1-Methylpyrrolidin-3-yl)propan-1-amine
CID 23009458
(1-Propylpyrrolidin-3-yl)methanamine
CID 24275254
(R)-N,N-Dimethyl-1-(pyrrolidin-3-yl)methanamine
CID 26368555

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine (CID 102906426) is N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine is CNCC1CCN(CC(C(C)C)C(C)C)C1.
What is the InChIKey of N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine?
The InChIKey is FGSUFQFDWOYFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11(2)14(12(3)4)10-16-7-6-13(9-16)8-15-5/h11-15H,6-10H2,1-5H3.
What are the key properties of N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine has a molecular weight of 226.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 102906426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).