1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine

C12H26N2 — CID 58778381

IUPAC1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CN(C(C)C)CC1C(C)C
InChIInChI=1S/C12H26N2/c1-9(2)12-8-14(10(3)4)7-11(12)6-13-5/h9-13H,6-8H2,1-5H3
InChIKeyDORVMFVWXGSWBL-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.82
Rot. Bonds4

About 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine

1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 58778381) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID58778381
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CN(C(C)C)CC1C(C)C
InChIInChI=1S/C12H26N2/c1-9(2)12-8-14(10(3)4)7-11(12)6-13-5/h9-13H,6-8H2,1-5H3
InChIKeyDORVMFVWXGSWBL-UHFFFAOYSA-N
XLogP1.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine
CID 172541479
2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine
CID 166501051
1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine
CID 117025884
N-methyl-1-propan-2-ylazetidin-3-amine
CID 22952913
methyl 1,4-di(propan-2-yl)pyrrolidine-3-carboxylate
CID 167252053
1-[(2R,3R)-1-[(R)-tert-butylsulfinyl]-2-propan-2-ylazetidin-3-yl]-N-methylmethanamine
CID 171827152
3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine
CID 171506094
3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine
CID 89385855
(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol
CID 158126108
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
1-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)hydrazine
CID 170035370
N-(2-methylpropyl)-1-propan-2-ylazetidin-3-amine
CID 155088141

Frequently Asked Questions

What is the IUPAC name of 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine (CID 58778381) is 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CN(C(C)C)CC1C(C)C.
What is the InChIKey of 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is DORVMFVWXGSWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(2)12-8-14(10(3)4)7-11(12)6-13-5/h9-13H,6-8H2,1-5H3.
What are the key properties of 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 198.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 58778381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).