2-methyl-6-(methylamino)-2-(propylamino)heptanediamide

C12H26N4O2 — CID 66221079

IUPAC2-methyl-6-(methylamino)-2-(propylamino)heptanediamide
SMILESCCCNC(C)(CCCC(NC)C(N)=O)C(N)=O
InChIInChI=1S/C12H26N4O2/c1-4-8-16-12(2,11(14)18)7-5-6-9(15-3)10(13)17/h9,15-16H,4-8H2,1-3H3,(H2,13,17)(H2,14,18)
InChIKeyMSAWEOWCFQDOID-UHFFFAOYSA-N
MW258.37 g/mol
LogP-0.53
Rot. Bonds10

About 2-methyl-6-(methylamino)-2-(propylamino)heptanediamide

2-methyl-6-(methylamino)-2-(propylamino)heptanediamide (PubChem CID 66221079) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-methyl-6-(methylamino)-2-(propylamino)heptanediamide.

Molecular Properties

Compound Name2-methyl-6-(methylamino)-2-(propylamino)heptanediamide
PubChem CID66221079
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name2-methyl-6-(methylamino)-2-(propylamino)heptanediamide
SMILESCCCNC(C)(CCCC(NC)C(N)=O)C(N)=O
InChIInChI=1S/C12H26N4O2/c1-4-8-16-12(2,11(14)18)7-5-6-9(15-3)10(13)17/h9,15-16H,4-8H2,1-3H3,(H2,13,17)(H2,14,18)
InChIKeyMSAWEOWCFQDOID-UHFFFAOYSA-N
XLogP-0.53
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 9-amino-2-methyl-8-(methylamino)-9-oxo-2-(propylamino)nonanoate
CID 66222381
7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid
CID 66223013
8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid
CID 66222169
2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide
CID 66224091
2-methyl-5-(methylamino)-2-(propan-2-ylamino)hexanediamide
CID 66223014
methyl 7-amino-6-(methylamino)-7-oxo-2-(propylamino)heptanoate
CID 66222372
2-methyl-4-pentan-2-yloxy-2-(propylamino)butanamide
CID 102984400
2,5-bis(methylamino)hexanediamide
CID 66221520
2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide
CID 66275068
2-(2-azidoethylamino)-2-methyloctanamide
CID 66188674
5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)pentanamide
CID 103191019
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propylamino)pentanamide
CID 106666735

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(methylamino)-2-(propylamino)heptanediamide?
The IUPAC name of 2-methyl-6-(methylamino)-2-(propylamino)heptanediamide (CID 66221079) is 2-methyl-6-(methylamino)-2-(propylamino)heptanediamide.
What is the SMILES notation for 2-methyl-6-(methylamino)-2-(propylamino)heptanediamide?
The canonical SMILES for 2-methyl-6-(methylamino)-2-(propylamino)heptanediamide is CCCNC(C)(CCCC(NC)C(N)=O)C(N)=O.
What is the InChIKey of 2-methyl-6-(methylamino)-2-(propylamino)heptanediamide?
The InChIKey is MSAWEOWCFQDOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-4-8-16-12(2,11(14)18)7-5-6-9(15-3)10(13)17/h9,15-16H,4-8H2,1-3H3,(H2,13,17)(H2,14,18).
What are the key properties of 2-methyl-6-(methylamino)-2-(propylamino)heptanediamide?
2-methyl-6-(methylamino)-2-(propylamino)heptanediamide has a molecular weight of 258.37 g/mol, XLogP of -0.53, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(methylamino)-2-(propylamino)heptanediamide is sourced from PubChem (CID 66221079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).