bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane

C19H44N8O2 — CID 157343011

IUPACbis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane
SMILESC.CN1CCN(CC(=O)NCCN)CC1.CN1CCN(CC(=O)NCCN)CC1
InChIInChI=1S/2C9H20N4O.CH4/c2*1-12-4-6-13(7-5-12)8-9(14)11-3-2-10;/h2*2-8,10H2,1H3,(H,11,14);1H4
InChIKeyBGPVKHMCMPXOHH-UHFFFAOYSA-N
MW416.62 g/mol
LogP-2.75
Rot. Bonds8

About bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane

bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane (PubChem CID 157343011) has the molecular formula C19H44N8O2 and a molecular weight of 416.62 g/mol. Its IUPAC name is bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane.

Molecular Properties

Compound Namebis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane
PubChem CID157343011
Molecular FormulaC19H44N8O2
Molecular Weight416.62 g/mol
Exact Mass416.36
IUPAC Namebis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane
SMILESC.CN1CCN(CC(=O)NCCN)CC1.CN1CCN(CC(=O)NCCN)CC1
InChIInChI=1S/2C9H20N4O.CH4/c2*1-12-4-6-13(7-5-12)8-9(14)11-3-2-10;/h2*2-8,10H2,1H3,(H,11,14);1H4
InChIKeyBGPVKHMCMPXOHH-UHFFFAOYSA-N
XLogP-2.75
TPSA123.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.62
LogP ≤ 5-2.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2-aminoethoxy)ethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 175195064
N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 108995187
N-(3-aminopropyl)-2-[4,7,10-tris[2-(3-aminopropylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 101418883
N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 54861073
N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43509649
CID 58262387
CID 58262387
N-(2-aminoethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61207322
N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide
CID 58969865
(2S)-2,6-bis[[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]hexanoic acid
CID 59921848
2-[7-[2-(2-aminoethylamino)-2-oxoethyl]-4-(2-amino-2-hydroxyethyl)-10-(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 166714444
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 54956375
2-[[2-[4-[2-(2-aminoethylamino)-2-oxoethyl]-10-[2-(carboxymethylamino)-2-oxoethyl]-7-[2-(methylperoxymethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetic acid
CID 89148034

Frequently Asked Questions

What is the IUPAC name of bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane?
The IUPAC name of bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane (CID 157343011) is bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane.
What is the SMILES notation for bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane?
The canonical SMILES for bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane is C.CN1CCN(CC(=O)NCCN)CC1.CN1CCN(CC(=O)NCCN)CC1.
What is the InChIKey of bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane?
The InChIKey is BGPVKHMCMPXOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H20N4O.CH4/c2*1-12-4-6-13(7-5-12)8-9(14)11-3-2-10;/h2*2-8,10H2,1H3,(H,11,14);1H4.
What are the key properties of bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane?
bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane has a molecular weight of 416.62 g/mol, XLogP of -2.75, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane is sourced from PubChem (CID 157343011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).