N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine

C12H33N5 — CID 87602895

IUPACN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine
SMILESCCCCCCN.NCCNCCNCCN
InChIInChI=1S/C6H18N4.C6H15N/c7-1-3-9-5-6-10-4-2-8;1-2-3-4-5-6-7/h9-10H,1-8H2;2-7H2,1H3
InChIKeyXRMSZFHQKRDYKW-UHFFFAOYSA-N
MW247.43 g/mol
LogP-0.39
Rot. Bonds11

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

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine (PubChem CID 87602895) has the molecular formula C12H33N5 and a molecular weight of 247.43 g/mol. Its IUPAC name is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine.

Molecular Properties

Compound NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine
PubChem CID87602895
Molecular FormulaC12H33N5
Molecular Weight247.43 g/mol
Exact Mass247.27
IUPAC NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine
SMILESCCCCCCN.NCCNCCNCCN
InChIInChI=1S/C6H18N4.C6H15N/c7-1-3-9-5-6-10-4-2-8;1-2-3-4-5-6-7/h9-10H,1-8H2;2-7H2,1H3
InChIKeyXRMSZFHQKRDYKW-UHFFFAOYSA-N
XLogP-0.39
TPSA102.12 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 5-0.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-pentyltridecane-1,13-diamine
CID 174397381
N'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371
N'-tetradecylbutane-1,4-diamine;hydrochloride
CID 73211859
N'-docosylethane-1,2-diamine
CID 18783196
N'-henicosylethane-1,2-diamine
CID 22930907
N'-butyloctadecane-1,18-diamine
CID 19427141
ethane;N'-pentylbutane-1,4-diamine
CID 171066485
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine?
The IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine (CID 87602895) is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine.
What is the SMILES notation for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine?
The canonical SMILES for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine is CCCCCCN.NCCNCCNCCN.
What is the InChIKey of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine?
The InChIKey is XRMSZFHQKRDYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4.C6H15N/c7-1-3-9-5-6-10-4-2-8;1-2-3-4-5-6-7/h9-10H,1-8H2;2-7H2,1H3.
What are the key properties of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine?
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of -0.39, 11 rotatable bonds, 5 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;hexan-1-amine is sourced from PubChem (CID 87602895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).