N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid

C7H21N5O2 — CID 158173045

IUPACN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
SMILESNC(=O)O.NCCNCCNCCN
InChIInChI=1S/C6H18N4.CH3NO2/c7-1-3-9-5-6-10-4-2-8;2-1(3)4/h9-10H,1-8H2;2H2,(H,3,4)
InChIKeyFXRNXHRUQKFTJZ-UHFFFAOYSA-N
MW207.28 g/mol
LogP-2.29
Rot. Bonds7

About N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid (PubChem CID 158173045) has the molecular formula C7H21N5O2 and a molecular weight of 207.28 g/mol. Its IUPAC name is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid.

Molecular Properties

Compound NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
PubChem CID158173045
Molecular FormulaC7H21N5O2
Molecular Weight207.28 g/mol
Exact Mass207.17
IUPAC NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
SMILESNC(=O)O.NCCNCCNCCN
InChIInChI=1S/C6H18N4.CH3NO2/c7-1-3-9-5-6-10-4-2-8;2-1(3)4/h9-10H,1-8H2;2H2,(H,3,4)
InChIKeyFXRNXHRUQKFTJZ-UHFFFAOYSA-N
XLogP-2.29
TPSA139.42 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500207.28
LogP ≤ 5-2.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
2-[2-(2-aminoethylamino)ethylamino]ethylurea
CID 175595434
2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]acetamide
CID 57107156
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)
CID 87573177
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;azane;dihydrate
CID 173303961
acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 22253788
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;iron(3+);triacetate
CID 172701648
acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine
CID 158884370

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid?
The IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid (CID 158173045) is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid.
What is the SMILES notation for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid?
The canonical SMILES for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid is NC(=O)O.NCCNCCNCCN.
What is the InChIKey of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid?
The InChIKey is FXRNXHRUQKFTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4.CH3NO2/c7-1-3-9-5-6-10-4-2-8;2-1(3)4/h9-10H,1-8H2;2H2,(H,3,4).
What are the key properties of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid?
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid has a molecular weight of 207.28 g/mol, XLogP of -2.29, 7 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid is sourced from PubChem (CID 158173045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).