N'-[2-(propan-2-ylideneamino)ethyl]ethane-1,2-diamine;2-(propan-2-ylideneamino)-N-[2-(propan-2-ylideneamino)ethyl]ethanamine

C17H38N6 — CID 169426604

IUPACN'-[2-(propan-2-ylideneamino)ethyl]ethane-1,2-diamine;2-(propan-2-ylideneamino)-N-[2-(propan-2-ylideneamino)ethyl]ethanamine
SMILESCC(C)=NCCNCCN.CC(C)=NCCNCCN=C(C)C
InChIInChI=1S/C10H21N3.C7H17N3/c1-9(2)12-7-5-11-6-8-13-10(3)4;1-7(2)10-6-5-9-4-3-8/h11H,5-8H2,1-4H3;9H,3-6,8H2,1-2H3
InChIKeyJVTIMHCIZAXQGG-UHFFFAOYSA-N
MW326.53 g/mol
LogP1.55
Rot. Bonds11

About N'-[2-(propan-2-ylideneamino)ethyl]ethane-1,2-diamine;2-(propan-2-ylideneamino)-N-[2-(propan-2-ylideneamino)ethyl]ethanamine

N'-[2-(propan-2-ylideneamino)ethyl]ethane-1,2-diamine;2-(propan-2-ylideneamino)-N-[2-(propan-2-ylideneamino)ethyl]ethanamine (PubChem CID 169426604) has the molecular formula C17H38N6 and a molecular weight of 326.53 g/mol. Its IUPAC name is N'-[2-(propan-2-ylideneamino)ethyl]ethane-1,2-diamine;2-(propan-2-ylideneamino)-N-[2-(propan-2-ylideneamino)ethyl]ethanamine.

Molecular Properties

Compound NameN'-[2-(propan-2-ylideneamino)ethyl]ethane-1,2-diamine;2-(propan-2-ylideneamino)-N-[2-(propan-2-ylideneamino)ethyl]ethanamine
PubChem CID169426604
Molecular FormulaC17H38N6
Molecular Weight326.53 g/mol
Exact Mass326.32
IUPAC NameN'-[2-(propan-2-ylideneamino)ethyl]ethane-1,2-diamine;2-(propan-2-ylideneamino)-N-[2-(propan-2-ylideneamino)ethyl]ethanamine
SMILESCC(C)=NCCNCCN.CC(C)=NCCNCCN=C(C)C
InChIInChI=1S/C10H21N3.C7H17N3/c1-9(2)12-7-5-11-6-8-13-10(3)4;1-7(2)10-6-5-9-4-3-8/h11H,5-8H2,1-4H3;9H,3-6,8H2,1-2H3
InChIKeyJVTIMHCIZAXQGG-UHFFFAOYSA-N
XLogP1.55
TPSA87.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(propan-2-ylideneamino)ethyl]ethane-1,2-diamine;2-(propan-2-ylideneamino)-N-[2-(propan-2-ylideneamino)ethyl]ethanamine?
The IUPAC name of N'-[2-(propan-2-ylideneamino)ethyl]ethane-1,2-diamine;2-(propan-2-ylideneamino)-N-[2-(propan-2-ylideneamino)ethyl]ethanamine (CID 169426604) is N'-[2-(propan-2-ylideneamino)ethyl]ethane-1,2-diamine;2-(propan-2-ylideneamino)-N-[2-(propan-2-ylideneamino)ethyl]ethanamine.
What is the SMILES notation for N'-[2-(propan-2-ylideneamino)ethyl]ethane-1,2-diamine;2-(propan-2-ylideneamino)-N-[2-(propan-2-ylideneamino)ethyl]ethanamine?
The canonical SMILES for N'-[2-(propan-2-ylideneamino)ethyl]ethane-1,2-diamine;2-(propan-2-ylideneamino)-N-[2-(propan-2-ylideneamino)ethyl]ethanamine is CC(C)=NCCNCCN.CC(C)=NCCNCCN=C(C)C.
What is the InChIKey of N'-[2-(propan-2-ylideneamino)ethyl]ethane-1,2-diamine;2-(propan-2-ylideneamino)-N-[2-(propan-2-ylideneamino)ethyl]ethanamine?
The InChIKey is JVTIMHCIZAXQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3.C7H17N3/c1-9(2)12-7-5-11-6-8-13-10(3)4;1-7(2)10-6-5-9-4-3-8/h11H,5-8H2,1-4H3;9H,3-6,8H2,1-2H3.
What are the key properties of N'-[2-(propan-2-ylideneamino)ethyl]ethane-1,2-diamine;2-(propan-2-ylideneamino)-N-[2-(propan-2-ylideneamino)ethyl]ethanamine?
N'-[2-(propan-2-ylideneamino)ethyl]ethane-1,2-diamine;2-(propan-2-ylideneamino)-N-[2-(propan-2-ylideneamino)ethyl]ethanamine has a molecular weight of 326.53 g/mol, XLogP of 1.55, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(propan-2-ylideneamino)ethyl]ethane-1,2-diamine;2-(propan-2-ylideneamino)-N-[2-(propan-2-ylideneamino)ethyl]ethanamine is sourced from PubChem (CID 169426604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).