2-N-[[amino(ethyl)amino]methyl]-4-N-ethyl-4-N-methylhexane-2,4-diamine

C12H30N4 — CID 118974907

IUPAC2-N-[[amino(ethyl)amino]methyl]-4-N-ethyl-4-N-methylhexane-2,4-diamine
SMILESCCC(CC(C)NCN(N)CC)N(C)CC
InChIInChI=1S/C12H30N4/c1-6-12(15(5)7-2)9-11(4)14-10-16(13)8-3/h11-12,14H,6-10,13H2,1-5H3
InChIKeyRQBKROJVZYMIMQ-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.24
Rot. Bonds9

About 2-N-[[amino(ethyl)amino]methyl]-4-N-ethyl-4-N-methylhexane-2,4-diamine

2-N-[[amino(ethyl)amino]methyl]-4-N-ethyl-4-N-methylhexane-2,4-diamine (PubChem CID 118974907) has the molecular formula C12H30N4 and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-N-[[amino(ethyl)amino]methyl]-4-N-ethyl-4-N-methylhexane-2,4-diamine.

Molecular Properties

Compound Name2-N-[[amino(ethyl)amino]methyl]-4-N-ethyl-4-N-methylhexane-2,4-diamine
PubChem CID118974907
Molecular FormulaC12H30N4
Molecular Weight230.40 g/mol
Exact Mass230.25
IUPAC Name2-N-[[amino(ethyl)amino]methyl]-4-N-ethyl-4-N-methylhexane-2,4-diamine
SMILESCCC(CC(C)NCN(N)CC)N(C)CC
InChIInChI=1S/C12H30N4/c1-6-12(15(5)7-2)9-11(4)14-10-16(13)8-3/h11-12,14H,6-10,13H2,1-5H3
InChIKeyRQBKROJVZYMIMQ-UHFFFAOYSA-N
XLogP1.24
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 164857720
1-chloro-N-ethyl-N-methylbutan-2-amine
CID 130629325
N'-methyl-N'-pentan-3-ylmethanediamine
CID 58780835
3-[ethyl(methyl)amino]pentanoic acid
CID 63067557
N-ethyl-N-methyl-1-pyrrolidin-1-ylbutan-2-amine
CID 142940994
N-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine
CID 168977512
1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 43571008
(2R)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 103934492
1-N'-ethyl-1-N'-methylpropane-1,1-diamine
CID 18987876
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine
CID 87261599
1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine
CID 154977516

Frequently Asked Questions

What is the IUPAC name of 2-N-[[amino(ethyl)amino]methyl]-4-N-ethyl-4-N-methylhexane-2,4-diamine?
The IUPAC name of 2-N-[[amino(ethyl)amino]methyl]-4-N-ethyl-4-N-methylhexane-2,4-diamine (CID 118974907) is 2-N-[[amino(ethyl)amino]methyl]-4-N-ethyl-4-N-methylhexane-2,4-diamine.
What is the SMILES notation for 2-N-[[amino(ethyl)amino]methyl]-4-N-ethyl-4-N-methylhexane-2,4-diamine?
The canonical SMILES for 2-N-[[amino(ethyl)amino]methyl]-4-N-ethyl-4-N-methylhexane-2,4-diamine is CCC(CC(C)NCN(N)CC)N(C)CC.
What is the InChIKey of 2-N-[[amino(ethyl)amino]methyl]-4-N-ethyl-4-N-methylhexane-2,4-diamine?
The InChIKey is RQBKROJVZYMIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4/c1-6-12(15(5)7-2)9-11(4)14-10-16(13)8-3/h11-12,14H,6-10,13H2,1-5H3.
What are the key properties of 2-N-[[amino(ethyl)amino]methyl]-4-N-ethyl-4-N-methylhexane-2,4-diamine?
2-N-[[amino(ethyl)amino]methyl]-4-N-ethyl-4-N-methylhexane-2,4-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[amino(ethyl)amino]methyl]-4-N-ethyl-4-N-methylhexane-2,4-diamine is sourced from PubChem (CID 118974907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).