2-(cyclopropylamino)-5-(methylamino)hexanediamide

C10H20N4O2 — CID 66221949

IUPAC2-(cyclopropylamino)-5-(methylamino)hexanediamide
SMILESCNC(CCC(NC1CC1)C(N)=O)C(N)=O
InChIInChI=1S/C10H20N4O2/c1-13-7(9(11)15)4-5-8(10(12)16)14-6-2-3-6/h6-8,13-14H,2-5H2,1H3,(H2,11,15)(H2,12,16)
InChIKeyMLSGRWNSIRCTPA-UHFFFAOYSA-N
MW228.30 g/mol
LogP-1.55
Rot. Bonds8

About 2-(cyclopropylamino)-5-(methylamino)hexanediamide

2-(cyclopropylamino)-5-(methylamino)hexanediamide (PubChem CID 66221949) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(methylamino)hexanediamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(methylamino)hexanediamide
PubChem CID66221949
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name2-(cyclopropylamino)-5-(methylamino)hexanediamide
SMILESCNC(CCC(NC1CC1)C(N)=O)C(N)=O
InChIInChI=1S/C10H20N4O2/c1-13-7(9(11)15)4-5-8(10(12)16)14-6-2-3-6/h6-8,13-14H,2-5H2,1H3,(H2,11,15)(H2,12,16)
InChIKeyMLSGRWNSIRCTPA-UHFFFAOYSA-N
XLogP-1.55
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(methylamino)hexanediamide
CID 66221520
(4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid
CID 67333173
(4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid
CID 67336025
2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide
CID 104968607
2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide
CID 63052904
tert-butyl N-[4-amino-3-(cyclopropylamino)-4-oxobutyl]carbamate
CID 102730728
2-(cyclopropylamino)-4-(4-methylcyclohexyl)oxybutanamide
CID 63040789
2-(cyclopropylamino)-4-(cyclopropylmethoxy)butanamide
CID 63040627
2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 55143527
2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide
CID 114342017
2-(cyclopropylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide
CID 63055622
2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide
CID 63055288

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-(methylamino)hexanediamide?
The IUPAC name of 2-(cyclopropylamino)-5-(methylamino)hexanediamide (CID 66221949) is 2-(cyclopropylamino)-5-(methylamino)hexanediamide.
What is the SMILES notation for 2-(cyclopropylamino)-5-(methylamino)hexanediamide?
The canonical SMILES for 2-(cyclopropylamino)-5-(methylamino)hexanediamide is CNC(CCC(NC1CC1)C(N)=O)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-5-(methylamino)hexanediamide?
The InChIKey is MLSGRWNSIRCTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-13-7(9(11)15)4-5-8(10(12)16)14-6-2-3-6/h6-8,13-14H,2-5H2,1H3,(H2,11,15)(H2,12,16).
What are the key properties of 2-(cyclopropylamino)-5-(methylamino)hexanediamide?
2-(cyclopropylamino)-5-(methylamino)hexanediamide has a molecular weight of 228.30 g/mol, XLogP of -1.55, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(methylamino)hexanediamide is sourced from PubChem (CID 66221949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).