N-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine

C13H29N3 — CID 176601704

IUPACN-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCNCCN(CCC1CC(C)CN1)C(C)C
InChIInChI=1S/C13H29N3/c1-11(2)16(8-6-14-4)7-5-13-9-12(3)10-15-13/h11-15H,5-10H2,1-4H3
InChIKeyBOQYZAJIUFFIMC-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.30
Rot. Bonds7

About N-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine

N-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 176601704) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID176601704
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCNCCN(CCC1CC(C)CN1)C(C)C
InChIInChI=1S/C13H29N3/c1-11(2)16(8-6-14-4)7-5-13-9-12(3)10-15-13/h11-15H,5-10H2,1-4H3
InChIKeyBOQYZAJIUFFIMC-UHFFFAOYSA-N
XLogP1.30
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine
CID 176601984
N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 176600987
N-methyl-1-[(2R,4R)-4-methylpyrrolidin-2-yl]methanamine
CID 147487511
N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine
CID 176601082
ethane;4-methyl-2-propylpyrrolidine
CID 170743275
N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 176601232
(2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine
CID 122625851
(2S,4S)-2-hexyl-4-methylpyrrolidine
CID 101063075
2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride
CID 138114248
[(4R)-4-methylpyrrolidin-2-yl]methanol
CID 149144026
N,N-dimethyl-1-(4-methylpyrrolidin-2-yl)methanamine;ethane
CID 168883366
(3Z)-N-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]hexa-1,3,5-trien-2-amine
CID 167079194

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine (CID 176601704) is N-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine is CNCCN(CCC1CC(C)CN1)C(C)C.
What is the InChIKey of N-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is BOQYZAJIUFFIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-11(2)16(8-6-14-4)7-5-13-9-12(3)10-15-13/h11-15H,5-10H2,1-4H3.
What are the key properties of N-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
N-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 176601704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).