1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine

C17H35N3 — CID 79313962

IUPAC1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine
SMILESCCCNC1CCCCCC1N(C)CC1CCCN1C
InChIInChI=1S/C17H35N3/c1-4-12-18-16-10-6-5-7-11-17(16)20(3)14-15-9-8-13-19(15)2/h15-18H,4-14H2,1-3H3
InChIKeyYLYHPEGVSWTADI-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.71
Rot. Bonds6

About 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine

1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine (PubChem CID 79313962) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine
PubChem CID79313962
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine
SMILESCCCNC1CCCCCC1N(C)CC1CCCN1C
InChIInChI=1S/C17H35N3/c1-4-12-18-16-10-6-5-7-11-17(16)20(3)14-15-9-8-13-19(15)2/h15-18H,4-14H2,1-3H3
InChIKeyYLYHPEGVSWTADI-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopentane-1,2-diamine
CID 79313963
2-N,4-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylcyclohexane-1,2-diamine
CID 79313888
2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine
CID 63207322
4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine
CID 79320006
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 55228107
1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine
CID 62985177
2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine
CID 63466024
1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine
CID 65485884
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propylethane-1,2-diamine
CID 79314040
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 79318444
1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylcyclohexane-1,2-diamine
CID 79314207
2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine
CID 65488170

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine (CID 79313962) is 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine is CCCNC1CCCCCC1N(C)CC1CCCN1C.
What is the InChIKey of 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine?
The InChIKey is YLYHPEGVSWTADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-12-18-16-10-6-5-7-11-17(16)20(3)14-15-9-8-13-19(15)2/h15-18H,4-14H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine?
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine has a molecular weight of 281.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine is sourced from PubChem (CID 79313962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).