2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine

C14H34N6 — CID 68736626

IUPAC2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine
SMILESNCC(CN)CCN1CCN(CCC(CN)CN)CC1
InChIInChI=1S/C14H34N6/c15-9-13(10-16)1-3-19-5-7-20(8-6-19)4-2-14(11-17)12-18/h13-14H,1-12,15-18H2
InChIKeyWJXBGRBJBRQBFC-UHFFFAOYSA-N
MW286.47 g/mol
LogP-1.55
Rot. Bonds10

About 2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine

2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine (PubChem CID 68736626) has the molecular formula C14H34N6 and a molecular weight of 286.47 g/mol. Its IUPAC name is 2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine
PubChem CID68736626
Molecular FormulaC14H34N6
Molecular Weight286.47 g/mol
Exact Mass286.28
IUPAC Name2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine
SMILESNCC(CN)CCN1CCN(CCC(CN)CN)CC1
InChIInChI=1S/C14H34N6/c15-9-13(10-16)1-3-19-5-7-20(8-6-19)4-2-14(11-17)12-18/h13-14H,1-12,15-18H2
InChIKeyWJXBGRBJBRQBFC-UHFFFAOYSA-N
XLogP-1.55
TPSA110.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
CID 81079096
2-ethyl-4-morpholin-4-ylbutan-1-amine
CID 81080457
2-ethyl-4-(4-methoxypiperidin-1-yl)butan-1-amine
CID 81079775
4-(azetidin-1-yl)-2-methylbutan-1-amine
CID 130547472
1-amino-4-(4-propylpiperazin-1-yl)butan-2-ol
CID 64820693
4-piperidin-1-ylbutane-1,2-diamine
CID 68919851
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylbutan-1-amine
CID 81084496
2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine
CID 81080109
3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
CID 81087569
1-[2-(aziridin-1-yl)ethyl]aziridine
CID 3009817
4-morpholin-4-ylbutane-1,2-diamine
CID 154463097
(2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine
CID 112736755

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine?
The IUPAC name of 2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine (CID 68736626) is 2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine is NCC(CN)CCN1CCN(CCC(CN)CN)CC1.
What is the InChIKey of 2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine?
The InChIKey is WJXBGRBJBRQBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34N6/c15-9-13(10-16)1-3-19-5-7-20(8-6-19)4-2-14(11-17)12-18/h13-14H,1-12,15-18H2.
What are the key properties of 2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine?
2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine has a molecular weight of 286.47 g/mol, XLogP of -1.55, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine is sourced from PubChem (CID 68736626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).